SCHEMBL4060374

SCHEMBL4060374

Cc1cc(Nc2nn(-c3ccc(N4CCOCC4)cc3)c(=O)c3cccc(Nc4cc[nH]n4)c23)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.53
SYK P43405 5/20 0.52
AURKB Q96GD4 3/20 0.41
NTRK1 P04629 1/20 0.41
EPHB4 P54760 1/20 0.39

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
SCHEMBL4057862 0.83 AURKA (0.76) AURKASYKAURKB
SCHEMBL4060370 0.80 AURKA (0.62) AURKASYKAURKB
SCHEMBL4055453 0.76 AURKA (0.78) AURKASYKAURKB
SCHEMBL4060368 0.75 AURKA (0.62) AURKASYKAURKB
SCHEMBL4058178 0.70 AURKA (1.00) AURKASYKAURKB
SCHEMBL4060475 0.70 AURKA (1.00) AURKASYKAURKB
SCHEMBL17977177 0.69 AURKA (0.57) AURKASYKAURKBNTRK1
SCHEMBL4055241 0.69 AURKA (0.70) AURKASYKAURKB
SCHEMBL4057976 0.69 AURKA (1.00) AURKASYKAURKB
SCHEMBL4057413 0.69 SYK (0.69) AURKASYKAURKBNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed