SCHEMBL18429392

SCHEMBL18429392

CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)CC

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.86
▸ TLR8 Q9NR97 10/20 0.59

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
SCHEMBL18680036 0.99 TLR7 (0.85) TLR7TLR8
SCHEMBL13722028 0.93 TLR7 (0.82) TLR7TLR8
Cpg-52852 SCHEMBL483385 0.93 TLR7 (1.00) TLR7TLR8
Cpg-52852 SCHEMBL29371102 0.93 TLR7 (1.00) TLR7TLR8
SCHEMBL25636046 0.92 TLR7 (0.80) TLR7TLR8
SCHEMBL3979207 0.91 TLR7 (0.82) TLR7TLR8
SCHEMBL23554228 0.90 TLR7 (0.78) TLR7TLR8
SCHEMBL18429237 0.90 TLR7 (0.80) TLR7TLR8
SCHEMBL29182347 0.90 TLR7 (0.94) TLR7TLR8
SCHEMBL18680037 0.89 TLR7 (0.79) 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
US-9556167-B2 TLR-agonist-conjugated antibody recruiting molecules (TLR-ARMs) YALE UNIVERSITY (US) 2017-01-31 — — US disclosed
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