SCHEMBL29584980

SCHEMBL29584980

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(=O)NC4CCNCC4)CC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 1.00
▸ TLR7 Q9NYK1 20/20 1.00
▸ TLR9 Q9NR96 19/20 1.00

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
SCHEMBL19952696 1.00 TLR8 (1.00) TLR8TLR7TLR9
SCHEMBL19952216 0.89 TLR8 (1.00) TLR8TLR7TLR9
SCHEMBL29584978 0.89 TLR8 (1.00) TLR8TLR7TLR9
SCHEMBL19952303 0.89 TLR9 (1.00) TLR8TLR7TLR9
SCHEMBL19952079 0.85 TLR9 (1.00) TLR8TLR7TLR9
SCHEMBL29584159 0.85 TLR9 (1.00) TLR8TLR7TLR9
SCHEMBL29583606 0.85 TLR9 (1.00) TLR8TLR7TLR9
SCHEMBL19952245 0.85 TLR9 (1.00) TLR8TLR7TLR9
SCHEMBL29584353 0.85 TLR9 (1.00) TLR8TLR7TLR9
SCHEMBL19951763 0.85 TLR9 (1.00) TLR8TLR7TLR9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923108-B Pyridyl-substituted indole compounds 百时美施贵宝公司 2022-04-29 — — CN claimed
CN-109923108-B Pyridyl-substituted indole compounds 百时美施贵宝公司 2022-04-29 — — CN disclosed
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