SCHEMBL7780422

SCHEMBL7780422

C[C@@H](NC(c1ccccc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 0.41
MAPK14 Q16539 1/20 0.39
PLK1 P53350 2/20 0.35
AURKB Q96GD4 4/20 0.35
PDGFRA P16234 3/20 0.35
CSNK1G1 Q9HCP0 3/20 0.35
ROCK1 Q13464 2/20 0.35
MAPK1 P28482 2/20 0.35
DCLK1 O15075 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
PRKX P51817 1/20 0.35
NEK4 P51957 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL7780520 0.95 MAPKAPK2 (0.38) MAPKAPK2MAPK14PLK1AURKBPDGFRA
SCHEMBL7780593 0.94 MAPKAPK2 (0.46) MAPKAPK2MAPK14PLK1AURKBPDGFRA
SCHEMBL7785641 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14
SCHEMBL7780413 0.93 MAPKAPK2 (0.35) MAPKAPK2MAPK14
SCHEMBL7785106 0.93 MAPKAPK2 (0.35) MAPKAPK2MAPK14
SCHEMBL7785039 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14PLK1AURKBPDGFRA
SCHEMBL7780368 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14PLK1AURKBPDGFRA
SCHEMBL7780351 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14PLK1AURKBPDGFRA
SCHEMBL7787853 0.92 KMT2A (0.38) MAPKAPK2MAPK14
SCHEMBL7784926 0.92 KMT2A (0.38) MAPKAPK2MAPK14

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