SCHEMBL24017902

SCHEMBL24017902

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(CC)CC3)cc12

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 0.83
▸ TLR7 Q9NYK1 20/20 0.83
▸ TLR8 Q9NR97 19/20 0.83

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
SCHEMBL21967936 0.92 TLR9 (0.84) TLR9TLR7TLR8
SCHEMBL19952224 0.91 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL29584931 0.91 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL29585042 0.89 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL19951757 0.89 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL19952577 0.88 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL29584002 0.88 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL29585562 0.88 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL19951810 0.88 TLR9 (1.00) TLR9TLR7TLR8
SCHEMBL19952656 0.87 TLR9 (0.79) TLR9TLR7TLR8

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-3510024-B1 PYRIDYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 — — EP disclosed
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