SCHEMBL5795183

SCHEMBL5795183

CNC1CCN(c2nc(-c3ccc(F)cc3F)c(-c3ccnn(-c4ccccc4C)c3=O)o2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
HRH4 Q9H3N8 6/20 0.35
NR3C1 P04150 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
TOP1 P11387 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
S1PR1 P21453 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
SCHEMBL5796468 0.81 MAPK11 (0.52) MAPK14MAPK13MAPK12MAPK11HRH4
SCHEMBL5798471 0.74 MAPK11 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5796486 0.73 MAPK11 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5795927 0.72 MAPK11 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5795836 0.72 MAPK13 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5795644 0.71 MAPK11 (0.52) MAPK14MAPK13MAPK12MAPK11ALOX5AP
SCHEMBL5795840 0.71 MAPK11 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5795633 0.69 MAPK11 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5813843 0.67 SCN9A (0.44) HRH4
SCHEMBL5797338 0.65 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11

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