SCHEMBL4760873

SCHEMBL4760873

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NCC2(CO)CCS(=O)(=O)CC2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.49
MAPK11 Q15759 3/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK12 P53778 2/20 0.35
MAPK14 Q16539 2/20 0.35
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
ALPL P05186 1/20 0.30

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
SCHEMBL4760875 0.94 MAPK13 (0.49) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245202 0.94 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4240989 0.90 MAPK13 (0.50) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4240297 0.90 MAPK13 (0.50) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246281 0.88 MAPK13 (0.43) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4237635 0.86 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4241190 0.84 MAPK11 (0.49) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246284 0.83 MAPK13 (0.44) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246294 0.83 MAPK11 (0.55) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4236860 0.82 MAPK11 (0.40) MAPK13MAPK11CYP2C9MAPK12MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed