SCHEMBL6527744

SCHEMBL6527744

[CH2]CN(CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.78
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
SCHEMBL3490164 0.94 AURKA (0.84) AURKAAURKB
SCHEMBL3489719 0.91 AURKA (0.73) AURKAAURKB
SCHEMBL5493619 0.89 AURKA (0.77) AURKAAURKB
SCHEMBL5484970 0.89 AURKA (0.75) AURKAAURKB
SCHEMBL5492285 0.89 AURKA (0.78) AURKAAURKB
SCHEMBL3489143 0.88 AURKA (0.70) AURKAAURKB
SCHEMBL3488945 0.88 AURKA (0.80) AURKAAURKB
SCHEMBL3490339 0.87 AURKA (1.00) AURKAAURKB
SCHEMBL5492161 0.87 AURKA (0.81) AURKAAURKB
SCHEMBL3490520 0.86 AURKA (1.00) 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