SCHEMBL30824664

SCHEMBL30824664

CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CC(CCCCN2C(=O)C=CC2=O)C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.64
▸ TLR8 Q9NR97 5/20 0.64

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 0.90 TLR7 (0.65) TLR7TLR8
SCHEMBL26981064 0.83 TLR7 (0.85) TLR7TLR8
SCHEMBL26981097 0.82 TLR7 (0.81) TLR7TLR8
SCHEMBL20801506 0.82 TLR7 (0.76) TLR7TLR8
SCHEMBL13837109 0.82 TLR7 (0.81) TLR7TLR8
SCHEMBL30824679 0.81 TLR7 (0.51) TLR7TLR8
SCHEMBL30824663 0.79 TLR7 (0.74) TLR7TLR8
SCHEMBL26981088 0.79 TLR7 (0.74) TLR7TLR8
SCHEMBL18116590 0.78 TLR7 (1.00) TLR7TLR8
SCHEMBL16487370 0.77 TLR7 (1.00) 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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