SCHEMBL5485983

SCHEMBL5485983

C#CN(CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)[nH]n3)c2cc1OC)CC(C)C

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.65
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
SCHEMBL5489983 0.94 AURKA (0.75) AURKAAURKB
SCHEMBL5494111 0.93 AURKA (0.71) AURKAAURKB
SCHEMBL5491021 0.92 AURKA (0.67) AURKAAURKB
SCHEMBL3491450 0.89 AURKA (0.78) AURKAAURKB
SCHEMBL5492161 0.88 AURKA (0.81) AURKAAURKB
SCHEMBL5489513 0.86 AURKA (0.67) AURKAAURKB
SCHEMBL6525979 0.86 AURKA (0.63) AURKAAURKB
SCHEMBL3489795 0.86 AURKA (0.67) AURKAAURKB
SCHEMBL4298192 0.86 AURKA (0.73) AURKAAURKB
SCHEMBL3490317 0.85 AURKA (0.77) 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 1 patent. 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 claimed