SCHEMBL2175840

SCHEMBL2175840

Cc1cc(Nc2nc(Sc3ccc(NC4CC4C(=O)O)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 18/20 0.46
AURKA O14965 16/20 0.46
AURKC Q9UQB9 7/20 0.46
SRC P12931 4/20 0.46
GSK3B P49841 3/20 0.46
PLK4 O00444 2/20 0.42
BMPR1B O00238 1/20 0.42
STK25 O00506 1/20 0.42
RIOK3 O14730 1/20 0.42
CHEK1 O14757 1/20 0.42
GAK O14976 1/20 0.42
MUSK O15146 1/20 0.42
EPHB6 O15197 1/20 0.42
PDPK1 O15530 1/20 0.42
MAP3K13 O43283 1/20 0.42
DAPK3 O43293 1/20 0.42
MAP3K7 O43318 1/20 0.42
NUAK1 O60285 1/20 0.42
JAK2 O60674 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL2948567 0.84 AURKB (0.64) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2146309 0.81 AURKB (0.55) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2148867 0.80 AURKA (0.47) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2160263 0.80 AURKB (0.68) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2169729 0.80 AURKB (0.65) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2148590 0.78 AURKA (0.55) AURKBAURKAAURKC
SCHEMBL2148980 0.77 AURKB (0.41) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2161109 0.77 AURKB (0.56) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2224220 0.77 AURKA (0.69) AURKBAURKA
SCHEMBL2162306 0.77 AURKA (0.60) 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 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 claimed