SCHEMBL5799356

SCHEMBL5799356

Cc1ccccc1-n1nc(-c2sc(N3CC4CC3CN4C)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.47
MAPK11 Q15759 5/20 0.47
CYP2C9 P11712 1/20 0.47
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
MAPK12 P53778 4/20 0.40
MAPK14 Q16539 4/20 0.40
CHRNA7 P36544 8/20 0.35
KCNH2 Q12809 7/20 0.33
BRAF P15056 1/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5798606 0.82 MAPK13 (0.46) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5809579 0.79 MAPK11 (0.49) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5795738 0.79 MAPK13 (0.46) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5795290 0.78 MAPK13 (0.45) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5798480 0.73 MAPK13 (0.40) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5796380 0.70 MAPK11 (0.39) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5813023 0.69 CYP2C9 (0.37) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5795724 0.69 MAPK13 (0.37) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5799224 0.69 MAPK13 (0.37) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL5811310 0.69 MAPK11 (0.53) MAPK13MAPK11CYP2C9FGFR1FGFR2

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