SCHEMBL2148687

SCHEMBL2148687

O=C(CCl)Nc1ccc(Sc2nc(Nc3cc(C(F)F)[nH]n3)n3cccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 19/20 0.41
AURKA O14965 16/20 0.41
AURKC Q9UQB9 4/20 0.41
SRC P12931 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38

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
SCHEMBL2148465 0.92 AURKB (0.43) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2146309 0.87 AURKB (0.55) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2146188 0.85 AURKB (0.51) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2182489 0.84 AURKA (0.56) AURKBAURKA
SCHEMBL2148630 0.83 AURKA (0.32) AURKBAURKASRCGSK3B
SCHEMBL2148571 0.83 AURKB (0.48) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2148475 0.83 NPC1 (0.43) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2169729 0.78 AURKB (0.65) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2148917 0.78 AURKB (0.42) AURKBAURKAAURKCSRCGSK3B
SCHEMBL2169274 0.78 AURKB (0.47) AURKBAURKAAURKCSRCGSK3B

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