SCHEMBL5812295

SCHEMBL5812295

CCNc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc(=O)n(-c2ccccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.53
MAPK11 Q15759 6/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK14 Q16539 6/20 0.42
MAPK12 P53778 5/20 0.42
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
ADORA1 P30542 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5807295 0.92 MAPK11 (0.44) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4246294 0.90 MAPK11 (0.55) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5808593 0.90 MAPK11 (0.44) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4243633 0.89 MAPK13 (0.49) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5811657 0.88 MAPK11 (0.54) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5806880 0.88 MAPK13 (0.50) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4245986 0.87 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5812461 0.87 MAPK11 (0.51) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5811997 0.87 MAPK11 (0.57) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4760876 0.85 MAPK13 (0.51) MAPK13MAPK11CYP2C9MAPK14MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed