SCHEMBL28428146

SCHEMBL28428146

CCC[SH](=O)(O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)nc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.62
IL6 P05231 4/20 0.54
ADORA1 P30542 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
SCHEMBL28675790 0.89 TLR7 (0.60) TLR7
SCHEMBL28477000 0.87 TLR7 (0.61) TLR7IL6
SCHEMBL28426046 0.87 TLR7 (0.62) TLR7IL6
SCHEMBL28417397 0.85 TLR7 (0.59) TLR7IL6
SCHEMBL28424659 0.84 TLR7 (0.63) TLR7
SCHEMBL28422647 0.84 TLR7 (0.63) TLR7
SCHEMBL28428260 0.84 TLR7 (0.64) TLR7
SCHEMBL28420561 0.77 TLR7 (0.38) TLR7IL6
Propane SCHEMBL28428147 0.77 TLR7 (0.62) TLR7IL6ADORA1
SCHEMBL18207571 0.77 TLR7 (0.65) TLR7IL6ADORA1

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-107580596-B Sulfimidoylpurine ketone compounds and derivatives for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2020-07-14 CN disclosed