SCHEMBL7780518

SCHEMBL7780518

COc1ccc(Nc2c(OC(C)(C)C)c(=O)c2=O)cc1C(NC(C)c1ccc(F)c(F)c1)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.34
POLB P06746 1/20 0.34
CSF1R P07333 2/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
DAPK3 O43293 1/20 0.30
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
CDK1 P06493 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
FGFR3 P22607 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
MARK3 P27448 1/20 0.30
MAPK1 P28482 1/20 0.30
FLT4 P35916 1/20 0.30

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
SCHEMBL7787503 0.94 POLB (0.33) MAPKAPK2POLB
SCHEMBL7780084 0.89 MAPKAPK2 (0.38) MAPKAPK2POLBROCK2CDK1RPS6KB1
SCHEMBL7780535 0.88 POLB (0.35) MAPKAPK2POLBPLK1MAPK14
SCHEMBL7780353 0.86 POLB (0.34) MAPKAPK2POLBCSF1RPLK4CHEK1
SCHEMBL7801984 0.86 CXCR2 (0.36) MAPKAPK2POLBCSF1RMAPK1
SCHEMBL7787795 0.84 MAPKAPK2 (0.36) MAPKAPK2POLBMAPK14
SCHEMBL7787734 0.84 MAPKAPK2 (0.36) MAPKAPK2POLBMAPK14
SCHEMBL7780384 0.83 CXCR2 (0.33) MAPKAPK2
SCHEMBL7789041 0.81 KMT2A (0.36) MAPKAPK2POLBMAPK1MAPK14
SCHEMBL7780305 0.80 KMT2A (0.38) MAPKAPK2POLBMAPK14

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