41 families — Oncology (KRAS · EGFR · payload), CNS (SSRI · GABA · AED · cognition), cardio-metabolic. Data is refreshed about every 2 weeks from /analyze.
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Cleavable and non-cleavable linker scaffolds used across auristatin, maytansinoid, and TOP1 ADCs.
Phenethylamine and piperidine pharmacophores — methylphenidate, amphetamine and atomoxetine.
Aminopyridine scaffold to crizotinib, alectinib, brigatinib, lorlatinib.
Riluzole and edaravone chemotypes used in amyotrophic lateral sclerosis.
Carboxamide and tricyclic pharmacophores — levetiracetam, carbamazepine, lamotrigine.
Piperazine and benzisoxazole pharmacophores — aripiprazole, risperidone, olanzapine and quetiapine.
BH3-mimetic scaffold to venetoclax, navitoclax, sonrotoclax and SAR analogs.
Phenylaminopyrimidine core to imatinib, nilotinib, dasatinib, ponatinib.
1,4-Benzodiazepine core to diazepam, lorazepam and midazolam anxiolytics / sedatives.
Chloro-aryl pharmacophore to vemurafenib, dabrafenib, trametinib, cobimetinib.
Ibrutinib, acalabrutinib, zanubrutinib and covalent BTK warhead analogs.
Enediyne warhead for gemtuzumab ozogamicin (Mylotarg) and related ADCs.
Pyrrolopyrimidine core to palbociclib, ribociclib, abemaciclib and derivatives.
Urea / amide CGRP receptor antagonists — ubrogepant, rimegepant and atogepant for acute and preventive migraine.
Cholinesterase and NMDA pharmacophores — donepezil, rivastigmine, memantine.
KRAS G12C covalent inhibitor core and derived small molecules, ADC payloads, linkers, and assembled ADCs.
Maytansine-derived microtubule inhibitors — DM1 and DM4 used in Kadcyla and related ADCs.
Cyclopropapyrroloindole (CPI) DNA-alkylator payloads for ADCs — duocarmycin SA and seco forms.
Quinazoline / aminopyrimidine core to 1st-gen drugs and 3rd-gen osimertinib (Tagrisso) with resistance mutations.
Camptothecin-derived TOP1 inhibitor payloads — DXd powers Enhertu and related ADC platforms.
GLP-1 receptor agonist chemotypes from exenatide/liraglutide to semaglutide, dual GIP/GLP-1 tirzepatide, triple agonists, and oral small-molecule orforglipron.
Pyrrolopyrimidine JAK hinge core to approved JAK1/2/3 inhibitors.
Shared acrylicamide / warhead chemotype from core scaffold to sotorasib, adagrasib, daraxonrasib and SAR analogs.
Non-covalent and RAS(ON) chemotypes targeting KRAS G12D — MRTX1133, RMC-6236, RMC-9805 and SAR analogs.
Indole / tryptamine 5-HT1B/1D agonists — sumatriptan, rizatriptan, zolmitriptan, naratriptan and eletriptan.
Microtubule-disrupting auristatin payloads derived from dolastatin 10 — widely used in approved and clinical ADCs.
Sphingosine-1-phosphate receptor modulators — fingolimod, siponimod and ozanimod.
Gabapentinoid α2δ ligands and duloxetine used in neuropathic pain — bridges to antidepressant SNRI chemotype.
Levodopa pathway, dopamine agonists, and MAO-B inhibitors used in Parkinson disease.
Nicotinamide mimic pharmacophore to olaparib, niraparib, rucaparib and talazoparib.
Pyrrolobenzodiazepine dimers — SG3199, tesirine payloads for hematologic ADCs.
Oral macrocyclic peptide PCSK9i (enlicitide / Lipfendra) mapped with injectable mAb (evolocumab, alirocumab) and siRNA (inclisiran) class peers for LDL-C lowering.
Morpholino-pyrimidine PI3K pharmacophore to isoform-selective PI3K, AKT, and mTOR inhibitors.
Bifunctional degrader scaffold with E3-ligase recruiter motifs — AR, ER, BTK, BRD4 and KRAS PROTACs.
Multi-kinase hinge pharmacophore spanning selective RET, MET, and NTRK inhibitors.
C-glucoside SGLT2 inhibitors — empagliflozin, dapagliflozin, canagliflozin and sotagliflozin for glycemic and cardiorenal benefit.
Imidazopyridine Z-drugs, dual orexin receptor antagonists (DORAs) — zolpidem, zaleplon, eszopiclone, suvorexant, lemborexant and daridorexant.
Camptothecin analog prodrug irinotecan → active SN-38; foundation for many TOP1 ADC payloads.
Aryloxy-propylamine pharmacophore from fluoxetine and sertraline to escitalopram and venlafaxine.
Dihydroxyheptanoate statin pharmacophores — atorvastatin, rosuvastatin, simvastatin and pravastatin for LDL-C lowering.
Paclitaxel core to docetaxel, cabazitaxel and semisynthetic analogs.