SCHEMBL4595372

SCHEMBL4595372

COc1cc2c(Nc3ncc(CCC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.66
AURKB Q96GD4 6/20 0.65
KDR P35968 3/20 0.65
EGFR P00533 1/20 0.65
IGF1R P08069 1/20 0.65
FGFR1 P11362 1/20 0.65
SRC P12931 1/20 0.65
FGFR2 P21802 1/20 0.65
FGFR4 P22455 1/20 0.65
FGFR3 P22607 1/20 0.65
CDK2 P24941 1/20 0.65
CSK P41240 1/20 0.65
JAK3 P52333 1/20 0.65
PTK2 Q05397 1/20 0.65
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52

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
SCHEMBL4594818 0.87 AURKA (0.76) AURKAAURKBKDREGFRIGF1R
SCHEMBL5174881 0.84 AURKB (0.75) AURKAAURKBKDREGFRIGF1R
SCHEMBL5046866 0.84 AURKA (0.75) AURKAAURKBKDREGFRIGF1R
SCHEMBL5025165 0.80 AURKA (0.87) AURKAAURKBKDREGFRIGF1R
SCHEMBL4595690 0.79 AURKA (0.63) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045267 0.79 AURKB (0.91) AURKAAURKBKDREGFRIGF1R
SCHEMBL31060166 0.79 AURKB (1.00) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045154 0.79 AURKB (1.00) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045676 0.78 AURKB (0.88) AURKAAURKBKDREGFRIGF1R
SCHEMBL5046027 0.78 AURKB (0.85) AURKAAURKBKDREGFRIGF1R

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
EP-1948651-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2008-07-30 EP disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed