SCHEMBL580659

SCHEMBL580659

CNc1nccc(-c2cccnc2Oc2ccc(Nc3ncc(-c4cccnc4)c4ccccc34)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.71
AURKA O14965 9/20 0.71
TPX2 Q9ULW0 6/20 0.71
TEK Q02763 5/20 0.57
PDE10A Q9Y233 3/20 0.51
KDR P35968 3/20 0.50
LCK P06239 2/20 0.50
ULK1 O75385 1/20 0.46
RPS6KA5 O75582 1/20 0.46
RPS6KA4 O75676 1/20 0.46
PRKD3 O94806 1/20 0.46
ABL1 P00519 1/20 0.46
FES P07332 1/20 0.46
RET P07949 1/20 0.46
BCR P11274 1/20 0.46
BRAF P15056 1/20 0.46
NQO2 P16083 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
CLK1 P49759 1/20 0.46

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
SCHEMBL581732 0.94 AURKB (0.77) AURKBAURKATPX2TEKKDR
SCHEMBL581310 0.89 AURKB (0.87) AURKBAURKATPX2TEKPDE10A
SCHEMBL580647 0.89 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL580715 0.89 AURKB (0.79) AURKBAURKATPX2TEKKDR
SCHEMBL15810171 0.88 AURKB (0.67) AURKBAURKATPX2TEKKDR
SCHEMBL580440 0.87 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL580770 0.87 AURKB (0.68) AURKBAURKATPX2TEKKDR
SCHEMBL580713 0.85 AURKB (0.65) AURKBAURKATPX2TEKKDR
SCHEMBL580452 0.84 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL581323 0.83 AURKB (1.00) AURKBAURKATPX2TEKKDR

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