SCHEMBL4366553

SCHEMBL4366553

O=c1c(NCCc2cccc(-c3ccc(Cl)cc3)c2)c(Nc2ccncc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 7/20 0.58
RPS6KB1 P23443 7/20 0.58
GSK3A P49840 7/20 0.58
GSK3B P49841 7/20 0.58
RPS6KA3 P51812 7/20 0.58
ROCK1 Q13464 7/20 0.58
CDC42BPA Q5VT25 7/20 0.58
AURKB Q96GD4 7/20 0.58
CSNK1G3 Q9Y6M4 7/20 0.58
CHEK2 O96017 6/20 0.58
PRKG1 Q13976 6/20 0.58
PKN2 Q16513 6/20 0.58
HIPK4 Q8NE63 6/20 0.58
AKT1 P31749 5/20 0.58
CHEK1 O14757 5/20 0.58
MKNK2 Q9HBH9 5/20 0.58
SGK2 Q9HBY8 5/20 0.58
CSNK1G2 P78368 4/20 0.58
CLK4 Q9HAZ1 4/20 0.58
CSNK1G1 Q9HCP0 4/20 0.58

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
SCHEMBL4366810 0.91 FLT4 (0.64) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4363947 0.89 ROCK1 (0.58) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4374207 0.87 FLT4 (0.59) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4368765 0.85 FLT4 (0.55) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4370776 0.85 FLT4 (0.50) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4369721 0.84 GSK3A (0.75) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4362297 0.83 FLT4 (0.60) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4369771 0.83 FLT4 (0.52) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4367978 0.82 FLT4 (0.59) PRKACARPS6KB1GSK3AGSK3BRPS6KA3
SCHEMBL4378176 0.82 FLT4 (0.76) PRKACARPS6KB1GSK3AGSK3BRPS6KA3

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