SCHEMBL29928972

SCHEMBL29928972

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(CNC(=O)C3CCNC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 0.64
▸ TLR8 Q9NR97 20/20 0.64
▸ TLR7 Q9NYK1 20/20 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
SCHEMBL22463619 1.00 TLR9 (0.64) TLR9TLR8TLR7
SCHEMBL29929100 0.87 TLR9 (0.65) TLR9TLR8TLR7
SCHEMBL22463533 0.87 TLR9 (0.65) TLR9TLR8TLR7
SCHEMBL22463511 0.87 TLR9 (0.66) TLR9TLR8TLR7
SCHEMBL29929246 0.87 TLR9 (0.66) TLR9TLR8TLR7
SCHEMBL22463621 0.84 TLR8 (0.58) TLR9TLR8TLR7
SCHEMBL29928391 0.84 TLR8 (0.60) TLR9TLR8TLR7
SCHEMBL22463265 0.84 TLR8 (0.65) TLR9TLR8TLR7
SCHEMBL22481897 0.84 TLR8 (0.60) TLR9TLR8TLR7
SCHEMBL29928582 0.84 TLR8 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728225-B1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP claimed
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