SCHEMBL580448

SCHEMBL580448

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4cccc(C(F)(F)F)c4)c4c3CCCC4)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.60
AURKA O14965 5/20 0.60
TPX2 Q9ULW0 4/20 0.60
TEK Q02763 9/20 0.52
KDR P35968 6/20 0.52
LCK P06239 2/20 0.51
ABL1 P00519 1/20 0.51
CSF1R P07333 1/20 0.51
KIT P10721 1/20 0.51
SRC P12931 1/20 0.51
MAPK14 Q16539 1/20 0.51
YES1 P07947 1/20 0.49
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42

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
SCHEMBL580534 0.94 AURKB (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL580337 0.93 AURKB (0.65) AURKBAURKATPX2TEKKDR
SCHEMBL581074 0.90 AURKB (0.64) AURKBAURKATPX2TEKKDR
SCHEMBL580758 0.89 AURKB (0.63) AURKBAURKATPX2TEKKDR
SCHEMBL580434 0.89 AURKB (0.63) AURKBAURKATPX2TEKKDR
SCHEMBL581232 0.89 AURKB (0.76) AURKBAURKATPX2TEKKDR
SCHEMBL580241 0.87 AURKB (0.79) AURKBAURKATPX2TEKKDR
SCHEMBL580992 0.87 AURKB (0.63) AURKBAURKATPX2TEKKDR
SCHEMBL580268 0.87 AURKB (0.62) AURKBAURKATPX2TEKKDR
SCHEMBL580848 0.87 AURKB (0.64) 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