BioJungboMoaKRMediMoa
StructureMoaOncology · CNS · cardio-metabolic · ADC catalog
Insights · Deep Dive

Targets · seed proposals

Catalog counts and graph signals for fields, expansion seeds, and BioMoa program links. An LLM does not invent candidates, structures, or SMILES.

Explore structures

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Fields 8Seed 10Targets 6Discovery signals 32Catalog signals

These cards are catalog counts and graph signals. An LLM does not invent candidates, structures, or SMILES.

How similarity is calculated · How exploration priority is scored

Deep-dive fields

Therapeutic or chemotype fields ordered from catalog density, high exploration-priority count, and discovery signals.

  • ALS75
    Field
    ALS
    Catalog families
    1
    Compounds
    1
    S-tier seeds
    1
    Discovery signals
    Sparse SAR · Approved-tag gap · Weakly linked · Leaf node
    Priority score
    75
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    als-neuroprotectantExploreBioMoa
  • Antiepileptic · AED69
    Field
    Antiepileptic · AED
    Catalog families
    1
    Compounds
    1
    S-tier seeds
    0
    Discovery signals
    Weakly linked · Sparse SAR · Leaf node
    Priority score
    69
    Primary reason
    Weakly linked
    Limitation
    Internal catalog ranking, not efficacy
    antiepileptic-seriesExplore
  • ADC payload64
    Field
    ADC payload
    Catalog families
    4
    Compounds
    17
    S-tier seeds
    1
    Discovery signals
    —
    Priority score
    64
    Primary reason
    Catalog density
    Limitation
    Internal catalog ranking, not efficacy
    mmaeduocarmycin-payloadscalicheamicinCompareExploreBioMoa
  • KRAS inhibitor61
    Field
    KRAS inhibitor
    Catalog families
    3
    Compounds
    10
    S-tier seeds
    2
    Discovery signals
    —
    Priority score
    61
    Primary reason
    Catalog density
    Limitation
    Internal catalog ranking, not efficacy
    daraxonrasibkras-g12ckras-g12dCompareExploreBioMoa
  • ADHD57
    Field
    ADHD
    Catalog families
    1
    Compounds
    1
    S-tier seeds
    0
    Discovery signals
    Approved-tag gap · Sparse SAR · Weakly linked · Leaf node
    Priority score
    57
    Primary reason
    Approved-tag gap
    Limitation
    Internal catalog ranking, not efficacy
    adhd-stimulantExploreBioMoa
  • Antipsychotic52
    Field
    Antipsychotic
    Catalog families
    1
    Compounds
    1
    S-tier seeds
    0
    Discovery signals
    Sparse SAR · Weakly linked · Leaf node
    Priority score
    52
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    atypical-antipsychoticExploreBioMoa
  • Parkinson48
    Field
    Parkinson
    Catalog families
    1
    Compounds
    1
    S-tier seeds
    1
    Discovery signals
    Sparse SAR
    Priority score
    48
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    parkinson-dopaminergicExploreBioMoa
  • Neuropathic · gabapentinoid48
    Field
    Neuropathic · gabapentinoid
    Catalog families
    1
    Compounds
    1
    S-tier seeds
    1
    Discovery signals
    Sparse SAR
    Priority score
    48
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    neuropathic-gabapentinoidExploreBioMoa

Seed structures

Pharmacophore or payload anchors already in the catalog, ordered by graph and Exploration Score signals.

  • Aminobenzothiazole core100
    Family
    ALS neuroprotectant series
    Role
    Scaffold
    S-tier seeds
    High
    Discovery signals
    Sparse SAR
    Priority score
    100
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Catecholamine / amino-acid core100
    Family
    Parkinson dopaminergic / MAO-B series
    Role
    Scaffold
    S-tier seeds
    High
    Discovery signals
    Sparse SAR
    Priority score
    100
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Gabapentinoid amino-acid core100
    Family
    Neuropathic gabapentinoid / SNRI series
    Role
    Scaffold
    S-tier seeds
    High
    Discovery signals
    Sparse SAR
    Priority score
    100
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Phenethylamine pharmacophore99
    Family
    ADHD stimulant / non-stimulant series
    Role
    Scaffold
    S-tier seeds
    Med
    Discovery signals
    Sparse SAR
    Priority score
    99
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Pyrrolidinone carboxamide core97
    Family
    Antiepileptic drug chemical series
    Role
    Scaffold
    S-tier seeds
    Med
    Discovery signals
    Sparse SAR
    Priority score
    97
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Piperazine aryl pharmacophore97
    Family
    Atypical antipsychotic series
    Role
    Scaffold
    S-tier seeds
    Med
    Discovery signals
    Sparse SAR
    Priority score
    97
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Sphingosine-like pharmacophore96
    Family
    MS S1P modulator series
    Role
    Scaffold
    S-tier seeds
    Med
    Discovery signals
    Sparse SAR
    Priority score
    96
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Maytansine core88
    Family
    DM1 / maytansinoid payload family
    Role
    Scaffold
    S-tier seeds
    Med
    Discovery signals
    Sparse SAR
    Priority score
    88
    Primary reason
    Sparse SAR
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • 4-Anilinoquinazoline EGFR core83
    Family
    EGFR tyrosine kinase inhibitor series
    Role
    Scaffold
    S-tier seeds
    High
    Discovery signals
    —
    Priority score
    83
    Primary reason
    High/medium exploration-priority core
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore
  • Aryloxy-propylamine core83
    Family
    SSRI / SNRI antidepressant series
    Role
    Scaffold
    S-tier seeds
    High
    Discovery signals
    —
    Priority score
    83
    Primary reason
    High/medium exploration-priority core
    Limitation
    Internal catalog ranking, not efficacy
    Open on mapFamilyExplore

Linked BioMoa programs

Name/category matches between StructureMoa chemotypes and BioMoa program pages. Heuristic links, not new targets.

  • ALS / CNS100
    Linked chemotypes
    ALS · ADHD · Antipsychotic · Parkinson · Neuropathic · gabapentinoid
    Catalog families
    als-neuroprotectant · adhd-stimulant · atypical-antipsychotic · parkinson-dopaminergic · neuropathic-gabapentinoid · ms-s1p-modulator
    Priority score
    100
    Primary reason
    field_density · seed_anchor · approved_gap
    Limitation
    Internal catalog ranking, not efficacy
    BioMoaals-neuroprotectantadhd-stimulant
  • JAK inhibitor100
    Linked chemotypes
    Ruxolitinib (Jakafi) · Baricitinib (Olumiant) · Fedratinib (Inrebic)
    Catalog families
    jak-inhibitors
    Priority score
    100
    Primary reason
    approved_gap
    Limitation
    Internal catalog ranking, not efficacy
    BioMoajak-inhibitors
  • Auristatin ADC56
    Linked chemotypes
    ADC payload · Maytansine core
    Catalog families
    mmae · dm1
    Priority score
    56
    Primary reason
    field_density · seed_anchor
    Limitation
    Internal catalog ranking, not efficacy
    BioMoammaedm1
  • BioMoa에서 프로그램 검색34
    Linked chemotypes
    Pyrrolidinone carboxamide core
    Catalog families
    antiepileptic-series
    Priority score
    34
    Primary reason
    seed_anchor
    Limitation
    Internal catalog ranking, not efficacy
    BioMoaantiepileptic-series
  • EGFR TKI 프로그램29
    Linked chemotypes
    4-Anilinoquinazoline EGFR core
    Catalog families
    egfr-inhibitors
    Priority score
    29
    Primary reason
    seed_anchor
    Limitation
    Internal catalog ranking, not efficacy
    BioMoaegfr-inhibitors
  • KRAS inhibitor 프로그램24
    Linked chemotypes
    KRAS inhibitor
    Catalog families
    daraxonrasib
    Priority score
    24
    Primary reason
    field_density
    Limitation
    Internal catalog ranking, not efficacy
    BioMoadaraxonrasib

Assessed: 9/11/2026, 3:14:24 AM · cache 5 min · Exploration ranks