SCHEMBL580441

SCHEMBL580441

CNc1nccc(-c2cccnc2Oc2ccc(N3C=C(c4ccc(C)c(C)c4)c4ccccc4C3N)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.45
AURKB Q96GD4 13/20 0.44
AURKA O14965 9/20 0.44
TPX2 Q9ULW0 8/20 0.44
KDR P35968 5/20 0.42
LCK P06239 1/20 0.39
YES1 P07947 1/20 0.38

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 0.90 AURKB (0.51) TEKAURKBAURKATPX2KDR
SCHEMBL580716 0.89 AURKB (0.54) TEKAURKBAURKATPX2KDR
SCHEMBL15810173 0.89 AURKB (0.45) TEKAURKBAURKATPX2KDR
SCHEMBL580660 0.88 AURKB (0.47) TEKAURKBAURKATPX2KDR
SCHEMBL580648 0.86 AURKB (0.44) TEKAURKBAURKATPX2KDR
SCHEMBL580771 0.86 TEK (0.46) TEKAURKBAURKATPX2KDR
SCHEMBL580714 0.84 TEK (0.45) TEKAURKBAURKATPX2KDR
SCHEMBL580453 0.82 TEK (0.47) TEKAURKBAURKATPX2KDR
SCHEMBL580587 0.81 TEK (0.44) TEKAURKBAURKATPX2KDR
SCHEMBL581418 0.79 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