SCHEMBL4370137

SCHEMBL4370137

O=c1c(NCCc2ccccc2F)c(Nc2ccncc2)c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.76
ROCK1 Q13464 9/20 0.76
GSK3A P49840 8/20 0.76
GSK3B P49841 8/20 0.76
CDC42BPA Q5VT25 8/20 0.76
CSNK1G3 Q9Y6M4 8/20 0.76
PRKACA P17612 7/20 0.76
RPS6KB1 P23443 7/20 0.76
RPS6KA3 P51812 7/20 0.76
CHEK2 O96017 7/20 0.76
PRKG1 Q13976 6/20 0.76
PKN2 Q16513 6/20 0.76
HIPK4 Q8NE63 6/20 0.76
CHEK1 O14757 6/20 0.76
MKNK2 Q9HBH9 5/20 0.76
SGK2 Q9HBY8 5/20 0.76
AKT1 P31749 5/20 0.76
PRKCD Q05655 4/20 0.76
PRKAA1 Q13131 4/20 0.76
STK17A Q9UEE5 4/20 0.76

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
SCHEMBL4374279 0.85 ROCK1 (0.62) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL31318782 0.84 FLT4 (0.54) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4374698 0.84 FLT4 (0.58) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL3913487 0.83 TAAR1 (0.55) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4365437 0.82 FLT4 (0.56) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4364173 0.81 FLT4 (0.79) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4376009 0.79 FLT4 (0.71) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4366760 0.78 FLT4 (0.67) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4369649 0.77 FLT4 (0.59) AURKBROCK1GSK3AGSK3BCDC42BPA
SCHEMBL4364975 0.77 FLT4 (0.53) AURKBROCK1GSK3AGSK3BCDC42BPA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed