SCHEMBL5492161

SCHEMBL5492161

C#CN(CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC)CC(C)C

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.81
AURKB Q96GD4 9/20 0.76

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
SCHEMBL5489511 0.93 AURKA (0.78) AURKAAURKB
SCHEMBL5493988 0.93 AURKA (0.82) AURKAAURKB
SCHEMBL5491449 0.93 AURKA (0.77) AURKAAURKB
SCHEMBL5493619 0.91 AURKA (0.77) AURKAAURKB
SCHEMBL5488116 0.91 AURKA (0.75) AURKAAURKB
SCHEMBL5487339 0.90 AURKA (0.74) AURKAAURKB
SCHEMBL3490339 0.89 AURKA (1.00) AURKAAURKB
SCHEMBL5489983 0.89 AURKA (0.75) AURKAAURKB
SCHEMBL5487348 0.89 AURKA (0.72) AURKAAURKB
SCHEMBL5485983 0.88 AURKA (0.65) 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