SCHEMBL581083

SCHEMBL581083

CNc1nccc(-c2cccnc2Oc2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.68
AURKA O14965 6/20 0.68
TPX2 Q9ULW0 6/20 0.68
TEK Q02763 3/20 0.61
KDR P35968 1/20 0.49

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
SCHEMBL581161 0.90 TEK (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL581801 0.85 AURKB (0.71) AURKBAURKATPX2TEKKDR
SCHEMBL581474 0.85 TEK (0.68) AURKBAURKATPX2TEK
SCHEMBL581711 0.84 AURKB (0.64) AURKBAURKATPX2TEKKDR
SCHEMBL972567 0.83 TEK (0.69) AURKBAURKATPX2TEKKDR
SCHEMBL580111 0.81 TEK (0.56) AURKBAURKATPX2TEKKDR
SCHEMBL580409 0.81 TEK (0.56) AURKBAURKATPX2TEKKDR
SCHEMBL581323 0.81 AURKB (1.00) AURKBAURKATPX2TEKKDR
SCHEMBL581732 0.80 AURKB (0.77) AURKBAURKATPX2TEKKDR
SCHEMBL972657 0.79 TEK (0.70) 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