SCHEMBL6525973

SCHEMBL6525973

COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCC[NH]

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.84
AURKB Q96GD4 8/20 0.84

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
SCHEMBL4289085 0.95 AURKA (0.83) AURKAAURKB
SCHEMBL4286835 0.94 AURKA (0.82) AURKAAURKB
SCHEMBL6525974 0.94 AURKA (0.82) AURKAAURKB
SCHEMBL5494039 0.92 AURKA (0.83) AURKAAURKB
SCHEMBL4296517 0.91 AURKA (1.00) AURKAAURKB
SCHEMBL4299958 0.91 AURKA (0.93) AURKAAURKB
SCHEMBL4298390 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL4289124 0.90 AURKA (1.00) AURKAAURKB
SCHEMBL4295837 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL4295508 0.90 AURKA (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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