SCHEMBL13785495

SCHEMBL13785495

Cc1cc(Nc2cc(NC(=O)CCCCCCC(=O)NO)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.48
▸ AURKB Q96GD4 11/20 0.48
▸ AURKC Q9UQB9 4/20 0.48
▸ PLK4 O00444 3/20 0.48
▸ SRC P12931 2/20 0.48
▸ BMPR1B O00238 1/20 0.48
▸ STK25 O00506 1/20 0.48
▸ RIOK3 O14730 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ MUSK O15146 1/20 0.48
▸ EPHB6 O15197 1/20 0.48
▸ PDPK1 O15530 1/20 0.48
▸ MAP3K13 O43283 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ NUAK1 O60285 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ STK16 O75716 1/20 0.48

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
SCHEMBL13785830 0.96 AURKA (0.50) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785504 0.93 AURKA (0.47) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785498 0.93 AURKA (0.47) AURKAAURKBAURKCPLK4SRC
SCHEMBL4530762 0.90 AURKA (0.44) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785508 0.90 AURKA (0.44) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785519 0.90 AURKA (0.46) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785844 0.87 AURKB (0.60) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785491 0.87 AURKA (0.47) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785499 0.86 AURKB (0.61) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785849 0.85 AURKB (0.62) AURKAAURKBAURKCPLK4SRC

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-2009086012-A1 AURORA INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-07-09 — — WO disclosed
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