SCHEMBL5811310

SCHEMBL5811310

Cc1ccccc1-n1nc(-c2c[nH]nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 8/20 0.53
MAPK13 O15264 6/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK14 Q16539 8/20 0.48
MAPK12 P53778 5/20 0.48
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ADORA1 P30542 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
FABP4 P15090 2/20 0.33
KDR P35968 1/20 0.33
GRM2 Q14416 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
SCHEMBL4237138 0.82 MAPK13 (0.57) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5808420 0.76 MAPK11 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5809579 0.76 MAPK11 (0.49) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5812461 0.76 MAPK11 (0.51) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5812295 0.76 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4242576 0.75 MAPK13 (0.69) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4236992 0.74 MAPK13 (0.71) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5806880 0.74 MAPK13 (0.50) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5799317 0.74 MAPK13 (0.70) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4247658 0.74 MAPK11 (0.67) 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 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