SCHEMBL4369769

SCHEMBL4369769

CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(-c2ccsc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.65
AURKB Q96GD4 3/20 0.64
CSNK1G1 Q9HCP0 3/20 0.64
PDGFRA P16234 2/20 0.64
FYN P06241 1/20 0.64
ROCK1 Q13464 3/20 0.62
PLK1 P53350 3/20 0.62
ROCK2 O75116 2/20 0.62
CHEK2 O96017 2/20 0.62
GSK3A P49840 2/20 0.62
GSK3B P49841 2/20 0.62
PRKX P51817 2/20 0.62
CSNK1G2 P78368 2/20 0.62
CDC42BPA Q5VT25 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
STK17A Q9UEE5 2/20 0.62
CSNK1G3 Q9Y6M4 2/20 0.62
DCLK1 O15075 1/20 0.62
IRAK1 P51617 1/20 0.62
NEK4 P51957 1/20 0.62

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
SCHEMBL4368158 0.87 MAPKAPK2 (0.65) MAPKAPK2AURKBCSNK1G1PDGFRAFYN
SCHEMBL4366807 0.87 MAPKAPK2 (0.79) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1
SCHEMBL4366424 0.84 MAPKAPK2 (0.69) MAPKAPK2AURKBCSNK1G1PDGFRAFYN
SCHEMBL4368763 0.84 MAPKAPK2 (0.69) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1
SCHEMBL4363945 0.84 MAPKAPK2 (0.77) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1
SCHEMBL4364800 0.83 MAPKAPK2 (0.67) MAPKAPK2AURKBCSNK1G1PDGFRAFYN
SCHEMBL4366551 0.83 MAPKAPK2 (0.68) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1
SCHEMBL4362293 0.82 MAPKAPK2 (0.68) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1
SCHEMBL4370336 0.81 MAPKAPK2 (0.65) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1
SCHEMBL4370772 0.80 MAPKAPK2 (0.67) MAPKAPK2AURKBCSNK1G1PDGFRAROCK1

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