SCHEMBL581015

SCHEMBL581015

CCc1cc(-c2ccccc2)nnc1Nc1ccc(Oc2ncccc2-c2ccnc(NCCCN3CCCCC3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.43
AURKA O14965 4/20 0.40
AURKB Q96GD4 4/20 0.40
TPX2 Q9ULW0 2/20 0.40
ACHE P22303 1/20 0.38
CDK4 P11802 1/20 0.37
GSK3B P49841 1/20 0.37
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
TEK Q02763 2/20 0.36
ACP1 P24666 4/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ACVR1 Q04771 1/20 0.35

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
SCHEMBL580936 0.95 AURKA (0.40) MKNK1AURKAAURKBTPX2CDK4
SCHEMBL581548 0.94 AURKA (0.40) MKNK1AURKAAURKBTPX2CDK4
SCHEMBL580006 0.91 AURKB (0.50) MKNK1AURKAAURKBTPX2ACHE
SCHEMBL579093 0.91 AURKB (0.51) MKNK1AURKAAURKBTPX2ACHE
SCHEMBL15810117 0.87 AURKA (0.41) MKNK1AURKAAURKBTPX2ACHE
SCHEMBL581894 0.86 AURKB (0.50) AURKAAURKBTPX2CDK4GSK3B
SCHEMBL581145 0.86 AURKA (0.55) MKNK1AURKAAURKBTPX2CDK4
SCHEMBL580483 0.85 AURKB (0.49) AURKAAURKBTPX2TEKABL1
SCHEMBL581487 0.83 AURKB (0.51) MKNK1AURKAAURKBTPX2ACHE
SCHEMBL580836 0.82 AURKB (0.52) MKNK1AURKAAURKBTPX2ACHE

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