SCHEMBL5046486

SCHEMBL5046486

COc1cc2c(NC(=N)c3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN(CCO)C1CCC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.64
AURKB Q96GD4 9/20 0.64

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
SCHEMBL3489154 0.90 AURKA (0.80) AURKAAURKB
SCHEMBL3489865 0.89 AURKA (0.79) AURKAAURKB
SCHEMBL3488255 0.82 AURKA (0.70) AURKAAURKB
SCHEMBL3488576 0.82 AURKA (0.69) AURKAAURKB
SCHEMBL3490186 0.81 AURKA (0.83) AURKAAURKB
SCHEMBL3490072 0.80 AURKA (0.66) AURKAAURKB
SCHEMBL5049568 0.80 AURKA (0.72) AURKAAURKB
SCHEMBL3489839 0.80 AURKA (0.66) AURKAAURKB
SCHEMBL5488458 0.80 AURKA (0.75) AURKAAURKB
SCHEMBL3490982 0.80 AURKA (0.85) 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
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed