SCHEMBL29947295

SCHEMBL29947295

COc1c(-c2cnn(C)n2)ccnc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.35
AOC3 Q16853 2/20 0.34
PIK3CD O00329 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
PIK3CA P42336 1/20 0.32
USP7 Q93009 1/20 0.32
MTOR P42345 1/20 0.31
TTK P33981 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 1/20 0.31
DYRK3 O43781 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24776721 1.00 TYK2 (0.35) TYK2AOC3PIK3CDPIK3CBPIK3CG
SCHEMBL30079746 0.90 USP7 (0.30) USP7
SCHEMBL24823062 0.83 SCN9A (0.34) AOC3PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL31280404 0.82 TYK2 (0.33) TYK2AOC3TTKCHRM2CHRM3
SCHEMBL30079457 0.82 TYK2 (0.35) TYK2AOC3TTKCHRM2CHRM3
SCHEMBL24822834 0.82 TYK2 (0.35) TYK2AOC3TTKCHRM2CHRM3
SCHEMBL24776723 0.80 PIK3CA (0.34) PIK3CBPIK3CAALOX5APFEN1
SCHEMBL24824810 0.79 TTK (0.36) TYK2AOC3TTKBRD4BRD3
SCHEMBL20150274 0.78 TYK2 (0.33) TYK2AOC3CHRM2CHRM3ALOX5AP
SCHEMBL30079490 0.78 TYK2 (0.41) TYK2AOC3CHRM2CHRM3TLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
EP-4615832-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
CN-120152968-A Substituted heterocyclic compounds 百时美施贵宝公司 2025-06-13 CN disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed
WO-2024102683-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-16 WO disclosed
CN-117794912-A Substituted heterocyclic compounds 百时美施贵宝公司 2024-03-29 CN disclosed
EP-4337648-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
EP-4337655-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
CN-117355514-A Substituted heterocyclic compounds 百时美施贵宝公司 2024-01-05 CN disclosed
WO-2022241174-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
WO-2022241171-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed