SCHEMBL12694138

SCHEMBL12694138

CC1=NNC(Nc2cc(NCCN3CCOCC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.45
▸ AURKB Q96GD4 9/20 0.45
▸ AURKC Q9UQB9 4/20 0.45
▸ PLK4 O00444 3/20 0.44
▸ SRC P12931 2/20 0.44
▸ RIPK1 Q13546 2/20 0.44
▸ BMPR1B O00238 1/20 0.44
▸ STK25 O00506 1/20 0.44
▸ RIOK3 O14730 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ GAK O14976 1/20 0.44
▸ MUSK O15146 1/20 0.44
▸ EPHB6 O15197 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ MAP3K13 O43283 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ MAP3K7 O43318 1/20 0.44
▸ NUAK1 O60285 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ ERN1 O75460 1/20 0.44

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
SCHEMBL12694178 0.93 AURKA (0.45) AURKAAURKBAURKCPLK4SRC
SCHEMBL12694184 0.93 AURKA (0.46) AURKAAURKBAURKCPLK4SRC
SCHEMBL12694179 0.87 AURKA (0.45) AURKAAURKBAURKCPLK4SRC
SCHEMBL12694119 0.86 AURKA (0.56) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785821 0.83 AURKA (0.40) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785486 0.82 AURKA (0.40) AURKAAURKBAURKCPLK4SRC
SCHEMBL12338835 0.81 AURKA (0.51) AURKAAURKBAURKCPLK4SRC
SCHEMBL13785496 0.81 AURKA (0.40) AURKAAURKBAURKCPLK4SRC
SCHEMBL12694118 0.81 AURKB (0.54) AURKAAURKBAURKCPLK4SRC
SCHEMBL12694116 0.80 AURKA (0.51) 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-2012112674-A2 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING NEURODEGENERATIVE DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-23 — — WO disclosed
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