SCHEMBL13002162

SCHEMBL13002162

COCCN1CCN(c2nc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 10/20 0.76
▸ AURKA O14965 8/20 0.76
▸ RIPK1 Q13546 3/20 0.76
▸ AURKC Q9UQB9 4/20 0.62
▸ PLK4 O00444 3/20 0.62
▸ SRC P12931 2/20 0.62
▸ ABL1 P00519 2/20 0.62
▸ BCR P11274 2/20 0.62
▸ BMPR1B O00238 1/20 0.62
▸ STK25 O00506 1/20 0.62
▸ RIOK3 O14730 1/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ GAK O14976 1/20 0.62
▸ MUSK O15146 1/20 0.62
▸ EPHB6 O15197 1/20 0.62
▸ PDPK1 O15530 1/20 0.62
▸ MAP3K13 O43283 1/20 0.62
▸ DAPK3 O43293 1/20 0.62
▸ MAP3K7 O43318 1/20 0.62
▸ NUAK1 O60285 1/20 0.62

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
SCHEMBL10294698 0.92 AURKB (0.82) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294930 0.92 AURKB (0.79) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294972 0.92 AURKB (0.79) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294862 0.90 AURKB (0.77) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294716 0.90 AURKA (0.92) AURKBAURKARIPK1AURKCPLK4
SCHEMBL13002165 0.90 AURKB (0.76) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294932 0.89 AURKB (0.75) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294782 0.88 AURKA (0.84) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294884 0.88 AURKB (0.73) AURKBAURKARIPK1AURKCPLK4
SCHEMBL10294712 0.88 AURKA (0.85) AURKBAURKARIPK1AURKCPLK4

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-2010144359-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — WO disclosed
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