SCHEMBL8775090

SCHEMBL8775090

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 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
SCHEMBL8773426 0.94 TLR7 (1.00) TLR7TLR8
SCHEMBL860880 0.93 TLR7 (0.86) TLR7TLR8
SCHEMBL860879 0.93 TLR7 (0.86) TLR7TLR8
SCHEMBL8773905 0.91 TLR7 (1.00) TLR7TLR8
SCHEMBL4206260 0.90 TLR7 (0.82) TLR7TLR8
SCHEMBL4206256 0.90 TLR7 (0.82) TLR7TLR8
SCHEMBL12343249 0.89 TLR7 (1.00) TLR7TLR8
SCHEMBL4201920 0.89 TLR7 (0.87) TLR7TLR8
SCHEMBL4201925 0.89 TLR7 (0.87) TLR7TLR8
SCHEMBL8526344 0.89 TLR7 (1.00) 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