SCHEMBL5492285

SCHEMBL5492285

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

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.78
AURKB Q96GD4 9/20 0.78

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
SCHEMBL3488224 0.94 AURKA (0.86) AURKAAURKB
SCHEMBL3488607 0.92 AURKA (0.73) AURKAAURKB
SCHEMBL5488116 0.90 AURKA (0.75) AURKAAURKB
SCHEMBL3490359 0.89 AURKA (0.70) AURKAAURKB
SCHEMBL6527744 0.89 AURKA (0.78) AURKAAURKB
SCHEMBL3490520 0.88 AURKA (1.00) AURKAAURKB
SCHEMBL4292481 0.88 AURKA (1.00) AURKAAURKB
SCHEMBL3489812 0.87 AURKA (0.91) AURKAAURKB
SCHEMBL3489191 0.87 AURKA (0.88) AURKAAURKB
SCHEMBL3488945 0.87 AURKA (0.80) 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