SCHEMBL7789059

SCHEMBL7789059

COc1c(Nc2cccc(C(N[C@@H](C)c3ccccc3)c3ccncc3)c2)c(=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.49
AURKB Q96GD4 3/20 0.49
ROCK1 Q13464 2/20 0.49
PDGFRA P16234 2/20 0.49
MAPK1 P28482 2/20 0.49
CSNK1G1 Q9HCP0 2/20 0.49
DCLK1 O15075 1/20 0.49
ROCK2 O75116 1/20 0.49
CHEK2 O96017 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
PRKX P51817 1/20 0.49
NEK4 P51957 1/20 0.49
PLK1 P53350 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CDC42BPA Q5VT25 1/20 0.49
BRSK1 Q8TDC3 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
STK17A Q9UEE5 1/20 0.49

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
SCHEMBL7787611 0.94 MAPKAPK2 (0.46) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7787681 0.93 MAPKAPK2 (0.44) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7785513 0.86 MAPKAPK2 (0.47) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7780336 0.85 MAPKAPK2 (0.41) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7780618 0.85 MAPKAPK2 (0.42) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7787665 0.85 MAPKAPK2 (0.51) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7788955 0.85 MAPKAPK2 (0.51) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7780308 0.85 MAPKAPK2 (0.51) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7787502 0.84 MAPKAPK2 (0.41) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7787529 0.82 MAPKAPK2 (0.44) MAPKAPK2AURKBROCK1PDGFRAMAPK1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed