SCHEMBL2149372

SCHEMBL2149372

O=C(CN1CCC(CO)C1)Nc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 20/20 0.48
AURKA O14965 19/20 0.48
SRC P12931 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL2148774 0.91 AURKA (0.58) AURKBAURKA
SCHEMBL2148602 0.86 AURKB (0.58) AURKBAURKASRCGSK3B
SCHEMBL2146188 0.85 AURKB (0.51) AURKBAURKASRCGSK3B
SCHEMBL2183054 0.85 AURKB (0.58) AURKBAURKASRCGSK3B
SCHEMBL2146695 0.84 AURKB (0.58) AURKBAURKASRCGSK3B
SCHEMBL2200158 0.83 AURKA (0.64) AURKBAURKA
SCHEMBL2148571 0.82 AURKB (0.48) AURKBAURKASRCGSK3B
SCHEMBL2162306 0.82 AURKA (0.60) AURKBAURKA
SCHEMBL2224220 0.82 AURKA (0.69) AURKBAURKA
SCHEMBL2171510 0.82 AURKA (0.69) AURKBAURKA

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