SCHEMBL29584344

SCHEMBL29584344

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(=O)C4CCCNC4)CC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 1.00
▸ TLR8 Q9NR97 20/20 1.00
▸ TLR7 Q9NYK1 20/20 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
SCHEMBL19952708 1.00 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL29584159 0.96 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL19952079 0.96 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL29584491 0.93 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL19952230 0.93 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL19952303 0.91 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL24017886 0.88 TLR9 (0.85) TLR9TLR8TLR7
SCHEMBL19952151 0.87 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL29584392 0.87 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL19952155 0.87 TLR9 (1.00) TLR9TLR8TLR7

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
Send feedback