SCHEMBL4375317

SCHEMBL4375317

O=c1c(NCc2ccc(F)cc2F)c(Nc2ccncc2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.72
ROCK1 Q13464 9/20 0.72
CDC42BPA Q5VT25 9/20 0.72
GSK3A P49840 8/20 0.72
CSNK1G3 Q9Y6M4 8/20 0.72
AURKB Q96GD4 8/20 0.72
CHEK2 O96017 8/20 0.72
PRKACA P17612 7/20 0.72
RPS6KB1 P23443 7/20 0.72
RPS6KA3 P51812 7/20 0.72
PKN2 Q16513 7/20 0.72
CHEK1 O14757 7/20 0.72
PRKG1 Q13976 6/20 0.72
HIPK4 Q8NE63 6/20 0.72
MKNK2 Q9HBH9 6/20 0.72
SGK2 Q9HBY8 5/20 0.72
AKT1 P31749 5/20 0.72
PRKCD Q05655 4/20 0.72
PRKAA1 Q13131 4/20 0.72
STK17A Q9UEE5 4/20 0.72

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
SCHEMBL4371411 0.90 ROCK1 (0.72) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4368914 0.81 ROCK1 (0.74) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4544025 0.80 MAPKAPK2 (0.68) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4370159 0.77 GSK3A (0.69) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4370957 0.76 ROCK1 (0.67) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4376451 0.75 MAPKAPK2 (0.85) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL7894092 0.74 GAA (0.40) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4366364 0.73 ROCK1 (0.71) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4366760 0.73 FLT4 (0.67) GSK3BROCK1CDC42BPAGSK3ACSNK1G3
SCHEMBL4369649 0.72 FLT4 (0.59) GSK3BROCK1CDC42BPAGSK3ACSNK1G3

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