SCHEMBL580716

SCHEMBL580716

CNc1nccc(-c2cccnc2Oc2ccc(N3C=C(c4ccc(F)cc4)c4ccccc4C3N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.54
AURKA O14965 10/20 0.54
TPX2 Q9ULW0 5/20 0.54
TEK Q02763 11/20 0.45
KDR P35968 7/20 0.38
LCK P06239 5/20 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 0.94 AURKB (0.51) AURKBAURKATPX2TEKKDR
SCHEMBL580771 0.90 TEK (0.46) AURKBAURKATPX2TEKKDR
SCHEMBL580441 0.89 TEK (0.45) AURKBAURKATPX2TEKKDR
SCHEMBL580660 0.89 AURKB (0.47) AURKBAURKATPX2TEKKDR
SCHEMBL580648 0.88 AURKB (0.44) AURKBAURKATPX2TEKKDR
SCHEMBL580714 0.87 TEK (0.45) AURKBAURKATPX2TEKKDR
SCHEMBL15810173 0.87 AURKB (0.45) AURKBAURKATPX2TEKKDR
SCHEMBL580587 0.85 TEK (0.44) AURKBAURKATPX2TEKKDR
SCHEMBL580453 0.83 TEK (0.47) AURKBAURKATPX2TEKKDR
SCHEMBL581418 0.81 AURKA (0.39) AURKBAURKATPX2TEK

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