SCHEMBL5795756

SCHEMBL5795756

Cc1ccccc1-n1nc(-c2oc(N)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 12/20 0.61
MAPK13 O15264 11/20 0.61
MAPK14 Q16539 11/20 0.61
MAPK12 P53778 10/20 0.61
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
DHODH Q02127 2/20 0.35
TP53 P04637 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
SCHEMBL5799438 0.89 MAPK11 (0.61) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5797305 0.82 MAPK11 (0.55) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5795927 0.81 MAPK11 (0.53) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5796466 0.80 MAPK14 (0.52) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5796468 0.80 MAPK11 (0.52) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5798634 0.80 MAPK14 (0.52) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5798471 0.80 MAPK11 (0.52) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5795644 0.80 MAPK11 (0.52) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5796486 0.79 MAPK11 (0.51) MAPK11MAPK13MAPK14MAPK12FGFR1
SCHEMBL5799290 0.77 MAPK14 (0.49) MAPK11MAPK13MAPK14MAPK12FGFR1

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