SCHEMBL29136629

SCHEMBL29136629

CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCCOC(N)=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.83
▸ TLR8 Q9NR97 6/20 0.70

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
SCHEMBL26981137 0.92 TLR7 (0.95) TLR7TLR8
SCHEMBL26981083 0.91 TLR7 (1.00) TLR7TLR8
SCHEMBL27238484 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL27238478 0.89 TLR7 (1.00) TLR7TLR8
SCHEMBL27238474 0.89 TLR7 (1.00) TLR7TLR8
SCHEMBL26981084 0.89 TLR7 (1.00) TLR7TLR8
SCHEMBL26981106 0.86 TLR7 (1.00) TLR7TLR8
SCHEMBL26981120 0.86 TLR7 (0.89) TLR7TLR8
SCHEMBL26981089 0.86 TLR7 (0.86) TLR7TLR8
SCHEMBL26981097 0.85 TLR7 (0.81) 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-117355341-A TLR7 and TLR8 agonists for the treatment of cancer and/or infectious diseases 纽约州立大学研究基金会 2024-01-05 — — CN disclosed
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