SCHEMBL28675790

SCHEMBL28675790

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

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.60
TLR8 Q9NR97 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
SCHEMBL28477000 0.92 TLR7 (0.61) TLR7
SCHEMBL28428146 0.89 TLR7 (0.62) TLR7
SCHEMBL28422647 0.89 TLR7 (0.63) TLR7TLR8
SCHEMBL28424659 0.89 TLR7 (0.63) TLR7TLR8
SCHEMBL28428260 0.88 TLR7 (0.64) TLR7TLR8
SCHEMBL28417397 0.86 TLR7 (0.59) TLR7
SCHEMBL28426046 0.85 TLR7 (0.62) TLR7
SCHEMBL28420561 0.80 TLR7 (0.38) TLR7TLR8
SCHEMBL21287858 0.78 TLR7 (0.67) TLR7TLR8
SCHEMBL29488791 0.78 TLR7 (0.68) 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
CN-109641904-B 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed