SCHEMBL5489301

SCHEMBL5489301

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

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.75
AURKB Q96GD4 10/20 0.75

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
SCHEMBL5489091 0.96 AURKA (0.78) AURKAAURKB
SCHEMBL5483626 0.93 AURKA (0.75) AURKAAURKB
SCHEMBL17201774 0.91 AURKA (0.71) AURKAAURKB
SCHEMBL5484970 0.90 AURKA (0.75) AURKAAURKB
SCHEMBL3489812 0.88 AURKA (0.91) AURKAAURKB
SCHEMBL5491449 0.87 AURKA (0.77) AURKAAURKB
SCHEMBL3489745 0.86 AURKA (0.80) AURKAAURKB
SCHEMBL3489092 0.86 AURKA (0.75) AURKAAURKB
SCHEMBL3488945 0.86 AURKA (0.80) 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 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 disclosed