SCHEMBL14838916

SCHEMBL14838916

CCC1=C(c2cc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cs2)N=CC=CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.54
▸ KCNH2 Q12809 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49

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
SCHEMBL15910603 0.81 SYK (0.72) SYKKCNH2AURKB
SCHEMBL14839138 0.74 SYK (0.74) SYKAURKB
SCHEMBL14839007 0.73 SYK (0.72) SYKKCNH2AURKB
SCHEMBL16743159 0.72 SYK (0.71) SYKKCNH2AURKB
SCHEMBL16743186 0.72 SYK (0.71) SYKKCNH2AURKB
SCHEMBL16743317 0.71 SYK (0.71) SYKKCNH2AURKB
SCHEMBL16743166 0.71 SYK (0.73) SYKKCNH2AURKB
SCHEMBL14838986 0.70 SYK (1.00) SYKKCNH2AURKB
SCHEMBL14839216 0.70 SYK (1.00) SYKKCNH2AURKB
SCHEMBL14839149 0.70 SYK (0.86) SYKKCNH2AURKB

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-2013047813-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE 大鵬薬品工業株式会社 (JP) 2013-04-04 — — WO disclosed
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