chemical 구조를 spider web으로
항암제·신경계(CNS)·ADC payload 계열의 core pharmacophore에서 SAR·파생 drug·접합체까지의 경로와, 동일 계열 간 연결을 한 화면에서 맵핑합니다. AI Tier로 유망 core·파생 구조도 선별해 보여줍니다.
데이터는 2주마다 /analyze에서 수동 갱신합니다.
유망 구조 스냅샷
전체 Tier 보기Core S Tier
- S4-Anilinoquinazoline EGFR coreEGFR tyrosine kinase inhibitor series
- SAryloxy-propylamine coreSSRI / SNRI antidepressant series
- SBTK pyrazolo-pyrimidine coreBTK inhibitor chemical series
파생 S Tier
- SSotorasib (Lumakras)KRAS G12C inhibitor chemical landscape
- SBrentuximab vedotin (Adcetris)MMAE (auristatin) payload family
- SEnfortumab vedotin (Padcev)MMAE (auristatin) payload family
구조 패밀리
전체 보기ADC linker chemical families
ADC linker1일 전Cleavable and non-cleavable linker scaffolds used across auristatin, maytansinoid, and TOP1 ADCs.
8 nodes · Spider WebALK / ROS1 TKI chemical series
ALK / ROS1 TKI1일 전Aminopyridine scaffold to crizotinib, alectinib, brigatinib, lorlatinib.
6 nodes · Spider WebAntiepileptic drug chemical series
항경련·AED1일 전Carboxamide and tricyclic pharmacophores — levetiracetam, carbamazepine, lamotrigine.
5 nodes · Spider WebBCL-2 BH3-mimetic inhibitor series
BCL-2 inhibitor1일 전BH3-mimetic scaffold to venetoclax, navitoclax, sonrotoclax and SAR analogs.
6 nodes · Spider WebBCR-ABL TKI chemical series
BCR-ABL TKI1일 전Phenylaminopyrimidine core to imatinib, nilotinib, dasatinib, ponatinib.
7 nodes · Spider WebBenzodiazepine GABA-A modulators
불안·GABA1일 전1,4-Benzodiazepine core to diazepam, lorazepam and midazolam anxiolytics / sedatives.
5 nodes · Spider WebBRAF / MEK inhibitor chemical series
BRAF / MEK1일 전Chloro-aryl pharmacophore to vemurafenib, dabrafenib, trametinib, cobimetinib.
7 nodes · Spider WebBTK inhibitor chemical series
BTK inhibitor1일 전Ibrutinib, acalabrutinib, zanubrutinib and covalent BTK warhead analogs.
6 nodes · Spider WebCalicheamicin enediyne payload family
ADC payload1일 전Enediyne warhead for gemtuzumab ozogamicin (Mylotarg) and related ADCs.
6 nodes · Spider WebCDK4/6 inhibitor chemical series
CDK4/6 inhibitor1일 전Pyrrolopyrimidine core to palbociclib, ribociclib, abemaciclib and derivatives.
6 nodes · Spider WebCognitive modulator series
인지·치매1일 전Cholinesterase and NMDA pharmacophores — donepezil, rivastigmine, memantine.
5 nodes · Spider WebDaraxonrasib scaffold family
KRAS inhibitor1일 전KRAS G12C covalent inhibitor core and derived small molecules, ADC payloads, linkers, and assembled ADCs.
15 nodes · Spider WebDM1 / maytansinoid payload family
Maytansinoid1일 전Maytansine-derived microtubule inhibitors — DM1 and DM4 used in Kadcyla and related ADCs.
9 nodes · Spider WebDuocarmycin CPI ADC payload series
ADC payload1일 전Cyclopropapyrroloindole (CPI) DNA-alkylator payloads for ADCs — duocarmycin SA and seco forms.
6 nodes · Spider WebEGFR tyrosine kinase inhibitor series
EGFR TKI1일 전Quinazoline / aminopyrimidine core to 1st-gen drugs and 3rd-gen osimertinib (Tagrisso) with resistance mutations.
11 nodes · Spider WebExatecan / DXd (TOP1 inhibitor) payload family
TOP1 inhibitor1일 전Camptothecin-derived TOP1 inhibitor payloads — DXd powers Enhertu and related ADC platforms.
12 nodes · Spider WebJAK inhibitor chemical series
JAK inhibitor1일 전Pyrrolopyrimidine JAK hinge core to approved JAK1/2/3 inhibitors.
6 nodes · Spider WebKRAS G12C inhibitor chemical landscape
KRAS inhibitor1일 전Shared acrylicamide / warhead chemotype from core scaffold to sotorasib, adagrasib, daraxonrasib and SAR analogs.
13 nodes · Spider WebKRAS G12D / RAS(ON) inhibitor series
KRAS inhibitor1일 전Non-covalent and RAS(ON) chemotypes targeting KRAS G12D — MRTX1133, RMC-6236, RMC-9805 and SAR analogs.
7 nodes · Spider WebMMAE (auristatin) payload family
ADC payload1일 전Microtubule-disrupting auristatin payloads derived from dolastatin 10 — widely used in approved and clinical ADCs.
12 nodes · Spider WebPARP inhibitor chemical series
PARP inhibitor1일 전Nicotinamide mimic pharmacophore to olaparib, niraparib, rucaparib and talazoparib.
7 nodes · Spider WebPBD dimer ADC payload family
ADC payload1일 전Pyrrolobenzodiazepine dimers — SG3199, tesirine payloads for hematologic ADCs.
6 nodes · Spider WebPI3K / AKT / mTOR inhibitor series
PI3K / AKT / mTOR1일 전Morpholino-pyrimidine PI3K pharmacophore to isoform-selective PI3K, AKT, and mTOR inhibitors.
7 nodes · Spider WebPROTAC / bifunctional degrader series
PROTAC / degrader1일 전Bifunctional degrader scaffold with E3-ligase recruiter motifs — AR, ER, BTK, BRD4 and KRAS PROTACs.
7 nodes · Spider WebRET / MET / NTRK oncogene TKI series
RET / MET / NTRK TKI1일 전Multi-kinase hinge pharmacophore spanning selective RET, MET, and NTRK inhibitors.
8 nodes · Spider WebSN-38 / irinotecan (TOP1) small-molecule series
TOP1 inhibitor1일 전Camptothecin analog prodrug irinotecan → active SN-38; foundation for many TOP1 ADC payloads.
7 nodes · Spider WebSSRI / SNRI antidepressant series
항우울·SSRI/SNRI1일 전Aryloxy-propylamine pharmacophore from fluoxetine and sertraline to escitalopram and venlafaxine.
6 nodes · Spider WebTaxane diterpenoid series
Taxane / microtubule1일 전Paclitaxel core to docetaxel, cabazitaxel and semisynthetic analogs.
6 nodes · Spider Web