SCHEMBL8776129

SCHEMBL8776129

CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCN(C)CC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 1.00
TLR7 Q9NYK1 15/20 0.84

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
SCHEMBL8521002 0.94 TLR8 (1.00) TLR8TLR7
SCHEMBL6123262 0.94 TLR8 (1.00) TLR8TLR7
SCHEMBL8780199 0.91 TLR7 (1.00) TLR8TLR7
SCHEMBL8773268 0.88 TLR8 (1.00) TLR8TLR7
SCHEMBL860880 0.86 TLR7 (0.86) TLR8TLR7
SCHEMBL860879 0.86 TLR7 (0.86) TLR8TLR7
SCHEMBL8772937 0.86 TLR7 (1.00) TLR8TLR7
SCHEMBL8526344 0.85 TLR7 (1.00) TLR8TLR7
SCHEMBL6122601 0.85 TLR7 (1.00) TLR8TLR7
SCHEMBL8775090 0.85 TLR7 (1.00) TLR8TLR7

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
WO-2012066336-A1 BENZYLAMINE COMPOUNDS AS TOLL -LIKE RECEPTOR 7 AGONISTS ASTRAZENECA AB (SE) 2012-05-24 WO disclosed