SCHEMBL8772937

SCHEMBL8772937

CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCNCC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 1.00
TLR8 Q9NR97 10/20 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
SCHEMBL8780199 0.95 TLR7 (1.00) TLR7TLR8
SCHEMBL8773268 0.93 TLR8 (1.00) TLR7TLR8
SCHEMBL8521002 0.92 TLR8 (1.00) TLR7TLR8
SCHEMBL6123262 0.87 TLR8 (1.00) TLR7TLR8
SCHEMBL8775508 0.86 TLR7 (0.86) TLR7TLR8
SCHEMBL8891101 0.86 TLR7 (0.75) TLR7TLR8
SCHEMBL8776129 0.86 TLR8 (1.00) TLR7TLR8
SCHEMBL28693503 0.84 TLR7 (0.84) TLR7TLR8
SCHEMBL8773426 0.84 TLR7 (1.00) TLR7TLR8
SCHEMBL29349811 0.84 TLR7 (0.84) TLR7TLR8

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