SCHEMBL2154199

SCHEMBL2154199

Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(C(=O)NCCN5CCCCC5)C4)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.65
AURKB Q96GD4 20/20 0.65
AURKC Q9UQB9 1/20 0.51

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
SCHEMBL2149125 1.00 AURKA (0.65) AURKAAURKBAURKC
SCHEMBL2160414 0.99 AURKA (0.66) AURKAAURKBAURKC
SCHEMBL2148688 0.96 AURKA (0.61) AURKAAURKBAURKC
SCHEMBL2146531 0.90 AURKA (0.69) AURKAAURKBAURKC
SCHEMBL2150566 0.90 AURKA (0.69) AURKAAURKBAURKC
SCHEMBL2161621 0.90 AURKA (0.71) AURKAAURKB
SCHEMBL2148459 0.89 AURKA (0.72) AURKAAURKB
SCHEMBL2148587 0.89 AURKA (0.72) AURKAAURKB
SCHEMBL2148875 0.89 AURKA (0.72) AURKAAURKB
SCHEMBL2163023 0.89 AURKA (0.72) 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 1 patent. 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 disclosed