SCHEMBL580812

SCHEMBL580812

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(N4CCCCC4)c4ccccc34)cn2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.57
AURKA O14965 9/20 0.57
TPX2 Q9ULW0 3/20 0.57
TEK Q02763 16/20 0.45
KDR P35968 12/20 0.43
LCK P06239 6/20 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
SCHEMBL580723 0.90 AURKB (0.71) AURKBAURKATPX2TEKKDR
SCHEMBL581575 0.90 AURKB (0.71) AURKBAURKATPX2TEKKDR
SCHEMBL580629 0.89 AURKB (0.72) AURKBAURKATPX2TEKKDR
SCHEMBL580373 0.86 AURKB (0.56) AURKBAURKATPX2TEKKDR
SCHEMBL580556 0.82 AURKB (0.70) AURKBAURKATPX2TEKKDR
SCHEMBL581220 0.82 AURKB (0.69) AURKBAURKATPX2TEKKDR
SCHEMBL581847 0.81 AURKB (0.68) AURKBAURKATPX2TEKKDR
SCHEMBL580982 0.80 AURKB (0.67) AURKBAURKATPX2TEKKDR
SCHEMBL580882 0.80 AURKB (0.67) AURKBAURKATPX2TEKKDR
SCHEMBL581740 0.80 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