SCHEMBL29136648

SCHEMBL29136648

NC(=O)OCc1ccc(Cn2c(CO)nc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.62
▸ TLR8 Q9NR97 6/20 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
SCHEMBL28872749 0.88 TLR7 (0.62) TLR7TLR8
SCHEMBL30032171 0.88 TLR7 (0.62) TLR7TLR8
SCHEMBL6722230 0.86 TLR7 (0.77) TLR7TLR8
SCHEMBL26981086 0.85 TLR7 (0.72) TLR7TLR8
SCHEMBL26981091 0.84 TLR7 (0.74) TLR7TLR8
SCHEMBL26981129 0.83 TLR7 (0.65) TLR7TLR8
SCHEMBL26981069 0.82 TLR7 (0.73) TLR7TLR8
SCHEMBL24732770 0.80 TLR7 (0.66) TLR7TLR8
SCHEMBL29136653 0.79 TLR7 (0.67) TLR7TLR8
SCHEMBL28872784 0.79 TLR7 (0.50) 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
Send feedback