SCHEMBL4760396

SCHEMBL4760396

CC(=O)OC[C@H](Nc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc(=O)n(-c2ccccc2C)n1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 5/20 0.48
MAPK13 O15264 4/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK14 Q16539 4/20 0.36
MAPK12 P53778 3/20 0.36
ADORA1 P30542 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
FABP4 P15090 2/20 0.30
KCNH2 Q12809 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
SCHEMBL4760399 1.00 MAPK11 (0.48) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4760390 1.00 MAPK11 (0.48) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245941 0.85 MAPK11 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5812295 0.80 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4246031 0.80 MAPK13 (0.49) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4243526 0.80 MAPK13 (0.48) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4246294 0.80 MAPK11 (0.55) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4760876 0.79 MAPK13 (0.51) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4242115 0.79 MAPT (0.34) MAPK14MEN1KMT2AMAPT
SCHEMBL5812461 0.78 MAPK11 (0.51) MAPK11MAPK13CYP2C9MAPK14MAPK12

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