SCHEMBL5482318

SCHEMBL5482318

COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCN1CCC[CH]C1(C(C)(C)C)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.72
AURKB Q96GD4 7/20 0.72

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
SCHEMBL6527093 0.88 AURKA (0.78) AURKAAURKB
SCHEMBL4298390 0.88 AURKA (0.85) AURKAAURKB
SCHEMBL4286638 0.87 AURKA (0.84) AURKAAURKB
SCHEMBL4295837 0.86 AURKA (0.85) AURKAAURKB
SCHEMBL4286395 0.86 AURKA (0.87) AURKAAURKB
SCHEMBL6525973 0.85 AURKA (0.84) AURKAAURKB
SCHEMBL4286754 0.85 AURKA (0.83) AURKAAURKB
SCHEMBL5494015 0.84 AURKA (0.87) AURKAAURKB
SCHEMBL3489016 0.84 AURKA (0.82) AURKAAURKB
SCHEMBL5497814 0.84 AURKA (0.88) AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO disclosed