SCHEMBL6978359

SCHEMBL6978359

Cc1csc(-n2nc(C(F)(F)F)cc2-c2nc3cc(F)ccc3s2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.39
ILK Q13418 2/20 0.39
AHR P35869 1/20 0.38
APP P05067 1/20 0.36
DYRK1A Q13627 3/20 0.36
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL6976235 0.92 APP (0.44) F2RL3ILKAPPMAPT
SCHEMBL6973119 0.87 P2RY6 (0.40) F2RL3ILKPTGS2PTGS1MAPT
SCHEMBL6979548 0.82 F2RL3 (0.42) F2RL3ILKAHRAPPDYRK1A
SCHEMBL6976148 0.80 ILK (0.38) F2RL3ILKPTGS2PTGS1MAPT
SCHEMBL6978354 0.77 PTGS2 (0.49) F2RL3PTGS2PTGS1
SCHEMBL6981822 0.76 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6982699 0.75 F2RL3 (0.43) F2RL3ILKAPPPTGER1
SCHEMBL6981806 0.74 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6976230 0.69 PTGS2 (0.49) F2RL3APPPTGS2PTGS1
SCHEMBL8954500 0.68 PTGS2 (0.67) PTGS2PTGS1

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