SCHEMBL5320091

SCHEMBL5320091

COC(C)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.56
AURKB Q96GD4 15/20 0.56
SYK P43405 3/20 0.45

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
SCHEMBL4055658 0.83 AURKA (0.50) AURKAAURKBSYK
SCHEMBL4057397 0.79 AURKA (0.51) AURKAAURKBSYK
SCHEMBL4056859 0.79 AURKA (0.72) AURKAAURKBSYK
SCHEMBL4061496 0.77 AURKA (0.53) AURKAAURKBSYK
SCHEMBL4059106 0.76 AURKA (0.75) AURKAAURKBSYK
SCHEMBL4057365 0.76 AURKA (0.72) AURKAAURKBSYK
SCHEMBL4065204 0.74 AURKA (0.67) AURKAAURKBSYK
SCHEMBL4055807 0.74 AURKA (0.59) AURKAAURKBSYK
SCHEMBL4057001 0.73 AURKA (0.53) AURKAAURKBSYK
SCHEMBL4057927 0.72 AURKA (1.00) AURKAAURKBSYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP claimed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed