SCHEMBL5796468

SCHEMBL5796468

CNC1CCN(c2nc(-c3ccc(F)cc3F)c(-c3ccc(=O)n(-c4ccccc4C)n3)o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 11/20 0.52
MAPK14 Q16539 11/20 0.52
MAPK13 O15264 10/20 0.52
MAPK12 P53778 9/20 0.52
CYP2C9 P11712 1/20 0.38
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
HRH1 P35367 1/20 0.32
DHODH Q02127 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL5795927 0.91 MAPK11 (0.53) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795644 0.89 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5798471 0.88 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795633 0.86 MAPK11 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796486 0.86 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795836 0.85 MAPK13 (0.48) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795840 0.84 MAPK11 (0.48) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795183 0.81 MAPK14 (0.37) MAPK11MAPK14MAPK13MAPK12ALOX5AP
SCHEMBL5797338 0.80 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5799290 0.80 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9

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