SCHEMBL6982685

SCHEMBL6982685

CSc1ccc(-n2nc(-c3nc4ccc(F)cc4s3)cc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 8/20 0.49
APP P05067 7/20 0.39
MAOB P27338 1/20 0.38
ILK Q13418 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
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
SCHEMBL6979539 0.93 F2RL3 (0.48) F2RL3ILK
SCHEMBL6976230 0.81 PTGS2 (0.49) F2RL3APP
SCHEMBL6982699 0.77 F2RL3 (0.43) F2RL3APPMAOBILKCCNE1
SCHEMBL6978354 0.75 PTGS2 (0.49) F2RL3
SCHEMBL6973108 0.70 PTGS2 (0.51) F2RL3
SCHEMBL6979548 0.69 F2RL3 (0.42) F2RL3APPILK
SCHEMBL16710648 0.66 F2RL3 (1.00) F2RL3
SCHEMBL6974901 0.66 PTGS2 (0.63)
SCHEMBL6981808 0.64 PTGS2 (0.63)
SCHEMBL2711494 0.63 KEAP1 (0.65) F2RL3APPAXLGFER

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