SCHEMBL580534

SCHEMBL580534

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4c3CCCC4)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.60
AURKA O14965 6/20 0.60
TPX2 Q9ULW0 4/20 0.60
TEK Q02763 9/20 0.48
KDR P35968 5/20 0.48
ABL1 P00519 2/20 0.47
MAPK14 Q16539 2/20 0.47
LCK P06239 2/20 0.47
CSF1R P07333 1/20 0.47
KIT P10721 1/20 0.47
SRC P12931 1/20 0.47
YES1 P07947 1/20 0.45
ULK1 O75385 1/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
PRKD3 O94806 1/20 0.43
FES P07332 1/20 0.43
RET P07949 1/20 0.43
BCR P11274 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL580448 0.94 AURKB (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL580337 0.94 AURKB (0.65) AURKBAURKATPX2TEKKDR
SCHEMBL580848 0.90 AURKB (0.64) AURKBAURKATPX2TEKKDR
SCHEMBL581232 0.88 AURKB (0.76) AURKBAURKATPX2TEKKDR
SCHEMBL580601 0.88 AURKB (0.76) AURKBAURKATPX2TEKKDR
SCHEMBL581011 0.87 AURKB (0.79) AURKBAURKATPX2TEKKDR
SCHEMBL580268 0.87 AURKB (0.62) AURKBAURKATPX2TEKKDR
SCHEMBL580474 0.87 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL580462 0.87 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL580481 0.87 AURKB (0.76) 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