SCHEMBL31337598

SCHEMBL31337598

CCOCc1nc2c(N)nc3cc(Cc4cccc(CNCCN)c4)ccc3c2n1CC(C)(C)O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.62
▸ TLR8 Q9NR97 15/20 0.62
▸ NUDT1 P36639 1/20 0.61

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
SCHEMBL30583471 0.90 TLR7 (0.67) TLR7TLR8NUDT1
SCHEMBL30583314 0.90 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL31337588 0.89 TLR7 (0.62) TLR7TLR8
SCHEMBL30583530 0.89 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL30583619 0.87 TLR7 (0.70) TLR7TLR8NUDT1
SCHEMBL30583280 0.87 TLR7 (0.77) TLR7TLR8NUDT1
SCHEMBL30583345 0.87 TLR7 (0.72) TLR7TLR8NUDT1
SCHEMBL30583448 0.87 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL30583361 0.86 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL30583250 0.85 TLR7 (0.70) TLR7TLR8NUDT1

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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