SCHEMBL5486119

SCHEMBL5486119

[CH2][C@@H]1CCCN1CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.86
AURKB Q96GD4 5/20 0.86

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
SCHEMBL5486123 0.93 AURKA (0.87) AURKAAURKB
SCHEMBL4290487 0.93 AURKA (1.00) AURKAAURKB
SCHEMBL3491852 0.93 AURKA (1.00) AURKAAURKB
SCHEMBL3488479 0.90 AURKA (0.86) AURKAAURKB
SCHEMBL5494008 0.90 AURKA (0.86) AURKAAURKB
SCHEMBL3488488 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL5494422 0.89 AURKA (0.86) AURKAAURKB
SCHEMBL5488366 0.89 AURKA (0.86) AURKAAURKB
SCHEMBL4294137 0.88 AURKA (1.00) AURKAAURKB
SCHEMBL5488129 0.88 AURKA (0.76) 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