SCHEMBL4368158

SCHEMBL4368158

CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 15/20 0.65
PLK1 P53350 5/20 0.64
AURKB Q96GD4 4/20 0.64
ROCK1 Q13464 4/20 0.64
CSNK1G1 Q9HCP0 3/20 0.64
ROCK2 O75116 3/20 0.64
CHEK2 O96017 3/20 0.64
CDC42BPA Q5VT25 3/20 0.64
PDGFRA P16234 2/20 0.64
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
PRKX P51817 2/20 0.64
CSNK1G2 P78368 2/20 0.64
CLK4 Q9HAZ1 2/20 0.64
STK17A Q9UEE5 2/20 0.64
CSNK1G3 Q9Y6M4 2/20 0.64
DCLK1 O15075 1/20 0.64
IRAK1 P51617 1/20 0.64
NEK4 P51957 1/20 0.64
BRSK1 Q8TDC3 1/20 0.64

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
SCHEMBL4369769 0.87 MAPKAPK2 (0.65) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4364800 0.87 MAPKAPK2 (0.67) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4378173 0.84 MAPKAPK2 (0.85) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4374840 0.83 MAPKAPK2 (0.70) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4374891 0.82 MAPKAPK2 (0.67) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4376007 0.82 MAPKAPK2 (0.86) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4368077 0.80 MAPKAPK2 (0.78) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4365517 0.79 MAPKAPK2 (0.65) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4374221 0.79 MAPKAPK2 (0.76) MAPKAPK2PLK1AURKBROCK1CSNK1G1
SCHEMBL4365525 0.79 MAPKAPK2 (0.76) MAPKAPK2PLK1AURKBROCK1CSNK1G1

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