SCHEMBL580644

SCHEMBL580644

CNc1cc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4c3CCCC4)cc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.53
AURKB Q96GD4 2/20 0.53
TPX2 Q9ULW0 2/20 0.53
PDE10A Q9Y233 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
SCHEMBL581223 0.98 AURKA (0.53) AURKAAURKBTPX2PDE10A
SCHEMBL581155 0.88 AURKA (0.42) AURKAAURKBTPX2PDE10A
SCHEMBL580626 0.86 AURKA (0.49) AURKAAURKBTPX2
SCHEMBL580426 0.86 AURKA (0.71) AURKAAURKBTPX2PDE10A
SCHEMBL581232 0.84 AURKB (0.76) AURKAAURKBTPX2
SCHEMBL580481 0.82 AURKB (0.76) AURKAAURKBTPX2
SCHEMBL581184 0.80 AURKA (0.65) AURKAAURKBTPX2PDE10A
SCHEMBL580988 0.80 AURKA (0.58) AURKAAURKBTPX2PDE10A
SCHEMBL581414 0.80 AURKA (0.62) AURKAAURKBTPX2PDE10A
SCHEMBL581136 0.80 AURKA (0.72) AURKAAURKBTPX2PDE10A

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