SCHEMBL2149146

SCHEMBL2149146

Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(OC(C)(C)C)C4)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.72
AURKB Q96GD4 20/20 0.72
AURKC Q9UQB9 1/20 0.54

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
SCHEMBL2148668 0.90 AURKA (0.72) AURKAAURKB
SCHEMBL2160246 0.90 AURKA (0.59) AURKAAURKB
SCHEMBL2145956 0.90 AURKA (0.59) AURKAAURKB
SCHEMBL2224220 0.89 AURKA (0.69) AURKAAURKB
SCHEMBL2171510 0.89 AURKA (0.69) AURKAAURKB
SCHEMBL2162306 0.89 AURKA (0.60) AURKAAURKB
SCHEMBL2154621 0.89 AURKA (0.71) AURKAAURKB
SCHEMBL2154423 0.89 AURKA (0.71) AURKAAURKB
SCHEMBL2169261 0.88 AURKA (0.73) AURKAAURKB
SCHEMBL2148775 0.88 AURKA (0.61) AURKAAURKB

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