SCHEMBL5812461

SCHEMBL5812461

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NC(C)(C)C)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 7/20 0.51
MAPK13 O15264 6/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK14 Q16539 7/20 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
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA1 P30542 1/20 0.33
ALPL P05186 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5812295 0.87 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245986 0.85 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4246294 0.84 MAPK11 (0.55) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4243633 0.83 MAPK13 (0.49) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4237138 0.83 MAPK13 (0.57) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245941 0.83 MAPK11 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5811657 0.83 MAPK11 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5806880 0.83 MAPK13 (0.50) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4242028 0.81 MAPK13 (0.48) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245202 0.80 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