SCHEMBL31337588

SCHEMBL31337588

CCCCc1nc2c(N)nc3cc(Cc4cccc(CNCCN)c4)ccc3c2n1CC(C)(C)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.62
▸ TLR8 Q9NR97 17/20 0.62

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
SCHEMBL30583424 0.92 TLR7 (0.66) TLR7TLR8
SCHEMBL30583301 0.91 TLR7 (0.67) TLR7TLR8
SCHEMBL30583370 0.90 TLR7 (0.66) TLR7TLR8
SCHEMBL30583584 0.90 TLR7 (0.68) TLR7TLR8
SCHEMBL31337598 0.89 TLR7 (0.62) TLR7TLR8
SCHEMBL30583336 0.89 TLR7 (0.62) TLR7TLR8
SCHEMBL30583266 0.88 TLR7 (0.69) TLR7TLR8
SCHEMBL30583298 0.87 TLR7 (0.62) TLR7TLR8
SCHEMBL30583511 0.87 TLR7 (0.68) TLR7TLR8
SCHEMBL30583414 0.87 TLR7 (0.70) 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-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 — — CN disclosed
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