SCHEMBL5809579

SCHEMBL5809579

Cc1ccccc1-n1nc(-c2sc(Br)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 8/20 0.49
MAPK13 O15264 6/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK14 Q16539 8/20 0.47
MAPK12 P53778 5/20 0.47
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS2 P35354 4/20 0.34
TGFBR1 P36897 1/20 0.34
PTGER1 P34995 1/20 0.33
ADORA1 P30542 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
SCHEMBL5798606 0.83 MAPK13 (0.46) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5799356 0.79 MAPK13 (0.47) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5795738 0.78 MAPK13 (0.46) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5798859 0.78 FGFR1 (0.47) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5795290 0.77 MAPK13 (0.45) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5811310 0.76 MAPK11 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5808420 0.74 MAPK11 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4237138 0.74 MAPK13 (0.57) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5799285 0.73 MAPK11 (0.63) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5812295 0.72 MAPK13 (0.53) 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