SCHEMBL2169729

SCHEMBL2169729

Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN(C)C)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 20/20 0.65
AURKA O14965 17/20 0.65
AURKC Q9UQB9 5/20 0.65
SRC P12931 2/20 0.52
GSK3B P49841 2/20 0.52
ABL1 P00519 1/20 0.49
BCR P11274 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
SCHEMBL2161109 0.92 AURKB (0.56) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2146309 0.91 AURKB (0.55) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2948567 0.89 AURKB (0.64) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2160263 0.86 AURKB (0.68) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2148590 0.84 AURKA (0.55) AURKBAURKAAURKC
SCHEMBL2224220 0.83 AURKA (0.69) AURKBAURKA
SCHEMBL2162306 0.83 AURKA (0.60) AURKBAURKA
SCHEMBL2171510 0.83 AURKA (0.69) AURKBAURKA
SCHEMBL13221224 0.83 AURKB (0.57) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2150067 0.82 AURKB (0.56) AURKBAURKAAURKC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO claimed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed