SCHEMBL4366261

SCHEMBL4366261

Cc1ccc(CCNc2c(Nc3ccncc3)c(=O)c2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.75
GSK3A P49840 9/20 0.75
GSK3B P49841 9/20 0.75
CDC42BPA Q5VT25 9/20 0.75
CSNK1G3 Q9Y6M4 9/20 0.75
AURKB Q96GD4 9/20 0.75
CHEK2 O96017 8/20 0.75
PKN2 Q16513 7/20 0.75
PRKACA P17612 7/20 0.75
RPS6KB1 P23443 7/20 0.75
RPS6KA3 P51812 7/20 0.75
CHEK1 O14757 7/20 0.75
PRKG1 Q13976 6/20 0.75
HIPK4 Q8NE63 6/20 0.75
MKNK2 Q9HBH9 6/20 0.75
CSNK1G2 P78368 6/20 0.75
CLK4 Q9HAZ1 6/20 0.75
CSNK1G1 Q9HCP0 6/20 0.75
NEK4 P51957 5/20 0.75
SGK2 Q9HBY8 5/20 0.75

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
SCHEMBL4376009 0.90 FLT4 (0.71) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4366760 0.86 FLT4 (0.67) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4364003 0.86 FLT4 (0.67) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4369721 0.86 GSK3A (0.75) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4374223 0.86 FLT4 (0.67) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4364173 0.86 FLT4 (0.79) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4374703 0.86 ROCK1 (1.00) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4363947 0.84 ROCK1 (0.58) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4374247 0.84 FLT4 (0.59) ROCK1GSK3AGSK3BCDC42BPACSNK1G3
SCHEMBL4378176 0.84 FLT4 (0.76) ROCK1GSK3AGSK3BCDC42BPACSNK1G3

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