SCHEMBL580409

SCHEMBL580409

CNc1nccc(-c2cccnc2Oc2ccc(Nc3ccc(N4CCCCCC4)nn3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.56
AURKB Q96GD4 7/20 0.54
AURKA O14965 3/20 0.54
TPX2 Q9ULW0 3/20 0.54
KDR P35968 4/20 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
SCHEMBL580111 1.00 TEK (0.56) TEKAURKBAURKATPX2KDR
SCHEMBL580723 0.81 AURKB (0.71) TEKAURKBAURKATPX2KDR
SCHEMBL581575 0.81 AURKB (0.71) TEKAURKBAURKATPX2KDR
SCHEMBL581083 0.81 AURKB (0.68) TEKAURKBAURKATPX2KDR
SCHEMBL581161 0.80 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL580629 0.80 AURKB (0.72) TEKAURKBAURKATPX2KDR
SCHEMBL580561 0.80 AURKB (0.57) TEKAURKBAURKATPX2KDR
SCHEMBL580237 0.80 AURKB (0.57) TEKAURKBAURKATPX2KDR
SCHEMBL581474 0.79 TEK (0.68) TEKAURKBAURKATPX2
SCHEMBL581801 0.75 AURKB (0.71) TEKAURKBAURKATPX2KDR

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