SCHEMBL4378531

SCHEMBL4378531

C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 1.00
PLK1 P53350 4/20 1.00
ROCK1 Q13464 4/20 1.00
AURKB Q96GD4 4/20 1.00
ROCK2 O75116 3/20 1.00
CHEK2 O96017 3/20 1.00
CDC42BPA Q5VT25 3/20 1.00
DAPK3 O43293 2/20 1.00
PIM1 P11309 2/20 1.00
PLK3 Q9H4B4 2/20 1.00
CSNK1G1 Q9HCP0 3/20 0.57
CHEK1 O14757 2/20 0.57
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
PRKX P51817 2/20 0.57
CSNK1G2 P78368 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
STK17A Q9UEE5 2/20 0.57
CSNK1G3 Q9Y6M4 2/20 0.57
CDC7 O00311 1/20 0.57

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
SCHEMBL4366210 1.00 MAPKAPK2 (1.00) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL8370863 0.81 PLK1 (0.67) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL8370861 0.81 PLK1 (0.67) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL1926504 0.80 PLK1 (0.65) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL1925660 0.80 PLK1 (0.65) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL1925656 0.80 PLK1 (0.65) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL4376559 0.78 MAPKAPK2 (0.65) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL1926852 0.75 PLK1 (0.60) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL1926344 0.75 PLK1 (0.60) MAPKAPK2PLK1ROCK1AURKBROCK2
SCHEMBL1926851 0.75 PLK1 (0.60) MAPKAPK2PLK1ROCK1AURKBROCK2

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