SCHEMBL6982699

SCHEMBL6982699

Cc1csc(-n2nc(-c3nc4ccc(F)cc4s3)cc2C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.43
APP P05067 9/20 0.41
ILK Q13418 2/20 0.39
MAOB P27338 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
LDHA P00338 1/20 0.37
PTGER1 P34995 1/20 0.37
AXL P30530 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL6979548 0.93 F2RL3 (0.42) F2RL3APPILKLDHAPTGER1
SCHEMBL6976235 0.81 APP (0.44) F2RL3APPILKMAOBCCNE1
SCHEMBL6982685 0.77 F2RL3 (0.49) F2RL3APPILKMAOBCCNE1
SCHEMBL6978359 0.75 F2RL3 (0.39) F2RL3APPILKPTGER1
SCHEMBL6973119 0.70 P2RY6 (0.40) F2RL3ILK
SCHEMBL6979539 0.69 F2RL3 (0.48) F2RL3ILKLDHA
SCHEMBL15425178 0.65 APP (0.82) APPILKMAOB
SCHEMBL16708071 0.64 F2RL3 (0.76) F2RL3
SCHEMBL2137760 0.62 APP (0.67) APPILKMAOB
SCHEMBL6976148 0.62 ILK (0.38) F2RL3ILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006114-B1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM GRELAN PHARMACEUTICAL CO (JP) 2003-01-22 EP disclosed
US-6136831-A ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS GRELAN PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-1006114-A1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM Grelan Pharmaceutical Co., Ltd. (JP) 2000-06-07 EP disclosed