SCHEMBL581172

SCHEMBL581172

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4cc(C)cs4)c4nccnc34)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.65
AURKA O14965 10/20 0.65
ABL1 P00519 2/20 0.65
MAPK14 Q16539 2/20 0.65
ULK1 O75385 1/20 0.65
RPS6KA5 O75582 1/20 0.65
RPS6KA4 O75676 1/20 0.65
PRKD3 O94806 1/20 0.65
FES P07332 1/20 0.65
RET P07949 1/20 0.65
BCR P11274 1/20 0.65
BRAF P15056 1/20 0.65
NQO2 P16083 1/20 0.65
MAP2K2 P36507 1/20 0.65
MAPKAPK2 P49137 1/20 0.65
CLK1 P49759 1/20 0.65
CLK2 P49760 1/20 0.65
CLK3 P49761 1/20 0.65
MAP2K1 Q02750 1/20 0.65
TOP2B Q02880 1/20 0.65

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
SCHEMBL581159 0.89 AURKB (0.81) AURKBAURKAABL1MAPK14ULK1
SCHEMBL581014 0.87 AURKB (0.62) AURKBAURKAABL1MAPK14ULK1
SCHEMBL580288 0.87 AURKB (0.62) AURKBAURKAABL1MAPK14ULK1
SCHEMBL580354 0.81 AURKA (0.84) AURKBAURKAABL1MAPK14ULK1
SCHEMBL580014 0.81 AURKB (0.73) AURKBAURKAABL1MAPK14ULK1
Amg-900 SCHEMBL29479191 0.79 AURKA (1.00) AURKBAURKAABL1MAPK14ULK1
Amg-900 SCHEMBL503564 0.79 AURKA (1.00) AURKBAURKAABL1MAPK14ULK1
Amg-900 SCHEMBL29351414 0.79 AURKA (1.00) AURKBAURKAABL1MAPK14ULK1
SCHEMBL581087 0.78 AURKB (0.85) AURKBAURKAABL1MAPK14ULK1
SCHEMBL580636 0.78 AURKB (0.79) AURKBAURKAABL1MAPK14ULK1

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