SCHEMBL4669547

SCHEMBL4669547

CNc1nccc(-c2cccnc2Oc2ccc(N3Cc4ccccc4C(c4cc(Cl)cs4)=N3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.44
AURKB Q96GD4 14/20 0.42
AURKA O14965 10/20 0.42
TPX2 Q9ULW0 7/20 0.42
KDR P35968 4/20 0.39
LCK P06239 2/20 0.38
ULK1 O75385 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
FES P07332 1/20 0.38
RET P07949 1/20 0.38
BCR P11274 1/20 0.38
BRAF P15056 1/20 0.38
NQO2 P16083 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 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
SCHEMBL4669544 0.84 TEK (0.51) TEKAURKBAURKATPX2KDR
SCHEMBL581299 0.83 TEK (0.42) TEKAURKBAURKATPX2KDR
SCHEMBL16268810 0.80 AURKB (0.56) TEKAURKBAURKATPX2ULK1
SCHEMBL14428349 0.78 AURKB (0.57) TEKAURKBAURKATPX2KDR
SCHEMBL4666642 0.77 TEK (0.45) TEKAURKBAURKATPX2KDR
SCHEMBL4798744 0.76 TEK (0.46) TEKAURKBAURKATPX2KDR
SCHEMBL580014 0.74 AURKB (0.73) TEKAURKBAURKATPX2KDR
SCHEMBL4782599 0.73 AURKA (0.44) TEKAURKBAURKATPX2ULK1
SCHEMBL4668256 0.73 AURKA (0.38) TEKAURKBAURKATPX2MAPK14
SCHEMBL4668268 0.72 AURKB (0.37) TEKAURKBAURKATPX2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed