SCHEMBL4371065

SCHEMBL4371065

C[C@@H](Nc1c(Nc2ccnc(Nc3ccncn3)c2)c(=O)c1=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 1.00
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
PLK1 P53350 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
CSNK1G2 P78368 1/20 0.65
CDC42BPA Q5VT25 1/20 0.65
BRSK1 Q8TDC3 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
STK17A Q9UEE5 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
SCHEMBL4366478 0.89 MAPKAPK2 (0.83) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4371766 0.89 MAPKAPK2 (0.91) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4371264 0.88 MAPKAPK2 (0.77) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4378378 0.87 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4542682 0.86 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4368799 0.84 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4371224 0.81 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4368075 0.80 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4365652 0.80 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4364169 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 claimed