SCHEMBL18237016

SCHEMBL18237016

CCS(=N)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.66
▸ TLR8 Q9NR97 1/20 0.54

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
SCHEMBL19945842 0.92 TLR7 (0.66) TLR7TLR8
SCHEMBL18237058 0.91 TLR7 (0.66) TLR7TLR8
SCHEMBL21318954 0.91 TLR7 (0.65) TLR7TLR8
SCHEMBL20106984 0.88 TLR7 (0.58) TLR7TLR8
Propane SCHEMBL28675793 0.85 TLR7 (0.62) TLR7TLR8
SCHEMBL21318933 0.83 TLR7 (0.66) TLR7TLR8
SCHEMBL21318931 0.83 TLR7 (0.65) TLR7TLR8
SCHEMBL21319061 0.82 TLR7 (0.66) TLR7TLR8
SCHEMBL21318949 0.81 TLR7 (0.63) TLR7
SCHEMBL21318965 0.81 TLR7 (0.67) TLR7TLR8

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-2016180695-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 — — WO disclosed
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