SCHEMBL4366393

SCHEMBL4366393

COc1cc(Nc2c(N[C@H](C)c3ccccc3)c(=O)c2=O)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 0.69
AURKB Q96GD4 4/20 0.65
PDGFRA P16234 3/20 0.65
CSNK1G1 Q9HCP0 3/20 0.65
ROCK1 Q13464 2/20 0.65
MAPK1 P28482 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
DCLK1 O15075 1/20 0.65
ROCK2 O75116 1/20 0.65
CHEK2 O96017 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
IRAK1 P51617 1/20 0.65
PRKX P51817 1/20 0.65
NEK4 P51957 1/20 0.65
PLK1 P53350 1/20 0.65
CSNK1G2 P78368 1/20 0.65
CDC42BPA Q5VT25 1/20 0.65
BRSK1 Q8TDC3 1/20 0.65

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
SCHEMBL4366770 0.85 MAPKAPK2 (0.72) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4374212 0.83 MAPKAPK2 (0.80) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4371397 0.83 MAPKAPK2 (0.72) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL16102053 0.83 MAPKAPK2 (0.72) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4378378 0.82 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4363960 0.82 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4366450 0.81 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4370808 0.81 MAPKAPK2 (0.87) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4371766 0.80 MAPKAPK2 (0.91) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4368799 0.80 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1

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