SCHEMBL5484974

SCHEMBL5484974

C[CH]COc1cc2ncnc(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)[nH]n3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.68
AURKB Q96GD4 8/20 0.65

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
SCHEMBL3490141 0.89 AURKA (0.74) AURKAAURKB
SCHEMBL4297395 0.86 AURKA (0.87) AURKAAURKB
SCHEMBL5491911 0.86 AURKA (0.73) AURKAAURKB
SCHEMBL4299878 0.84 AURKA (0.85) AURKAAURKB
SCHEMBL4302212 0.84 AURKA (0.85) AURKAAURKB
SCHEMBL4290935 0.84 AURKA (0.86) AURKAAURKB
SCHEMBL4296041 0.84 AURKA (0.72) AURKAAURKB
SCHEMBL4291269 0.84 AURKA (0.72) AURKAAURKB
SCHEMBL4297171 0.84 AURKA (0.70) AURKAAURKB
SCHEMBL3490796 0.83 AURKA (0.87) 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