SCHEMBL7787611

SCHEMBL7787611

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
AURKB Q96GD4 4/20 0.41
MAPK1 P28482 3/20 0.41
PDGFRA P16234 3/20 0.41
CSNK1G1 Q9HCP0 3/20 0.41
ROCK1 Q13464 2/20 0.41
DCLK1 O15075 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41
PLK1 P53350 1/20 0.41
CSNK1G2 P78368 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL7789059 0.94 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AAURKBMAPK1
SCHEMBL7780336 0.91 MAPKAPK2 (0.41) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7780618 0.91 MAPKAPK2 (0.42) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7780368 0.87 MAPKAPK2 (0.43) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7780351 0.87 MAPKAPK2 (0.43) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7785513 0.87 MAPKAPK2 (0.47) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7787502 0.87 MAPKAPK2 (0.41) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7787681 0.86 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7785121 0.86 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7780624 0.85 POLB (0.40) MAPKAPK2MEN1KMT2APOLBMAPT

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