SCHEMBL22978455

SCHEMBL22978455

Oc1ccc(-c2cnc3[nH]ccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 1.00
CDK8 P49336 7/20 0.70
AXL P30530 2/20 0.70
PIK3CD O00329 1/20 0.68
PIK3CA P42336 1/20 0.68
PIK3CB P42338 1/20 0.68
PIK3CG P48736 1/20 0.68
DYRK1A Q13627 4/20 0.59
DYRK1B Q9Y463 4/20 0.59
DYRK2 Q92630 3/20 0.59
MAPK1 P28482 2/20 0.57
PLK4 O00444 2/20 0.57
ROCK2 O75116 2/20 0.57
PRKD3 O94806 2/20 0.57
MAP4K4 O95819 2/20 0.57
INSR P06213 2/20 0.57
CDK1 P06493 2/20 0.57
ROS1 P08922 2/20 0.57
FER P16591 2/20 0.57
CDK2 P24941 2/20 0.57

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
SCHEMBL4831501 0.87 CDK8 (0.81) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL12127266 0.83 RIPK1 (0.71) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL16746926 0.83 RIPK1 (0.71) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL413503 0.83 RIPK1 (0.71) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL410298 0.83 RIPK1 (0.71) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL15871324 0.83 RIPK1 (0.71) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL410704 0.82 CDK8 (1.00) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL31064962 0.82 RIPK1 (0.69) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL4165829 0.82 RIPK1 (0.69) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL416750 0.81 PIK3CA (1.00) RIPK1CDK8AXLPIK3CDPIK3CA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344359-A RIPK1 kinase targeted inhibitor and application thereof 中国药科大学 2024-07-16 CN disclosed
WO-2018233526-A9 CSF1R INHIBITOR, AND MANUFACTURING METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2021-02-18 WO disclosed
CN-110198941-A Pyrrolopyridine N- oxidized derivatives and its preparation method and application 江苏豪森药业集团有限公司 2019-09-03 CN disclosed
CN-105431422-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2019-08-30 CN disclosed
CN-109456324-A New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2019-03-12 CN disclosed
CN-105431422-A Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2016-03-23 CN disclosed