SCHEMBL2148459

SCHEMBL2148459

Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(C(=O)N5CCCCC5)C4)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.72
AURKB Q96GD4 20/20 0.72

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
SCHEMBL2154323 0.99 AURKA (0.72) AURKAAURKB
SCHEMBL2146470 0.94 AURKA (0.72) AURKAAURKB
SCHEMBL2159881 0.94 AURKA (0.72) AURKAAURKB
SCHEMBL2200158 0.93 AURKA (0.64) AURKAAURKB
SCHEMBL2146245 0.92 AURKA (0.68) AURKAAURKB
SCHEMBL2161126 0.92 AURKA (0.68) AURKAAURKB
SCHEMBL2146345 0.92 AURKA (0.68) AURKAAURKB
SCHEMBL2146579 0.92 AURKA (0.68) AURKAAURKB
SCHEMBL2148775 0.92 AURKA (0.61) AURKAAURKB
SCHEMBL2146093 0.91 AURKA (0.69) 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