SCHEMBL30824679

SCHEMBL30824679

NC(=O)C(CCCCN1C(=O)C=CC1=O)c1ccc(Cn2c(CO)nc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.51
▸ TLR8 Q9NR97 7/20 0.51

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
SCHEMBL30824665 0.91 TLR7 (0.65) TLR7TLR8
SCHEMBL26981079 0.82 TLR7 (0.69) TLR7TLR8
SCHEMBL26981118 0.82 TLR7 (0.65) TLR7TLR8
SCHEMBL30824664 0.81 TLR7 (0.64) TLR7TLR8
SCHEMBL30824663 0.79 TLR7 (0.74) TLR7TLR8
SCHEMBL6722230 0.76 TLR7 (0.77) TLR7TLR8
SCHEMBL26981086 0.75 TLR7 (0.72) TLR7TLR8
SCHEMBL26981091 0.74 TLR7 (0.74) TLR7TLR8
SCHEMBL29136648 0.74 TLR7 (0.62) TLR7TLR8
SCHEMBL26981129 0.74 TLR7 (0.65) 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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