SCHEMBL580936

SCHEMBL580936

CCc1cc(-c2ccccc2)nnc1Nc1ccc(Oc2ncccc2-c2ccnc(NCCCN3CCN(C)CC3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
TPX2 Q9ULW0 2/20 0.40
FGFR1 P11362 6/20 0.37
KDR P35968 4/20 0.37
CDK4 P11802 1/20 0.37
GSK3B P49841 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
ACVR1 Q04771 4/20 0.36
RET P07949 1/20 0.36
AIMP2 Q13155 1/20 0.36
SYK P43405 1/20 0.35
TEK Q02763 1/20 0.34

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
SCHEMBL581015 0.95 MKNK1 (0.43) AURKAAURKBTPX2KDRCDK4
SCHEMBL581548 0.94 AURKA (0.40) AURKAAURKBTPX2KDRCDK4
SCHEMBL15810117 0.92 AURKA (0.41) AURKAAURKBTPX2FGFR1KDR
SCHEMBL581894 0.91 AURKB (0.50) AURKAAURKBTPX2FGFR1KDR
SCHEMBL580464 0.87 AURKA (0.57) AURKAAURKBTPX2FGFR1KDR
SCHEMBL579093 0.86 AURKB (0.51) AURKAAURKBTPX2KDRMKNK1
SCHEMBL580006 0.86 AURKB (0.50) AURKAAURKBTPX2KDRMKNK1
SCHEMBL580483 0.85 AURKB (0.49) AURKAAURKBTPX2ACVR1RET
SCHEMBL581049 0.83 AURKB (0.51) AURKAAURKBTPX2FGFR1KDR
SCHEMBL581370 0.81 AURKA (0.46) AURKAAURKBTPX2KDRRET

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