SCHEMBL580587

SCHEMBL580587

CNc1nccc(-c2cccnc2Oc2ccc(N3C=C(c4ccccc4)c4ccccc4C3N)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.44
KDR P35968 9/20 0.44
AURKB Q96GD4 15/20 0.42
AURKA O14965 12/20 0.42
LCK P06239 6/20 0.42
TPX2 Q9ULW0 6/20 0.41

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
SCHEMBL581733 0.88 AURKB (0.51) TEKKDRAURKBAURKALCK
SCHEMBL580716 0.85 AURKB (0.54) TEKKDRAURKBAURKALCK
SCHEMBL580771 0.83 TEK (0.46) TEKKDRAURKBAURKALCK
SCHEMBL580660 0.82 AURKB (0.47) TEKKDRAURKBAURKALCK
SCHEMBL15810173 0.81 AURKB (0.45) TEKKDRAURKBAURKALCK
SCHEMBL580441 0.81 TEK (0.45) TEKKDRAURKBAURKALCK
SCHEMBL580648 0.79 AURKB (0.44) TEKKDRAURKBAURKALCK
SCHEMBL580714 0.77 TEK (0.45) TEKKDRAURKBAURKALCK
SCHEMBL580304 0.77 TEK (0.52) TEKKDRAURKBAURKALCK
SCHEMBL581418 0.76 AURKA (0.39) TEKAURKBAURKATPX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed