SCHEMBL30608943

SCHEMBL30608943

CCCC[C@@H](CO)Nc1nc(N)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 1.00
▸ TLR7 Q9NYK1 3/20 1.00
▸ KCNH2 Q12809 10/20 0.84
▸ APP P05067 1/20 0.57

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
SCHEMBL18109292 1.00 TLR8 (1.00) TLR8TLR7KCNH2APP
SCHEMBL18109290 1.00 TLR8 (1.00) TLR8TLR7KCNH2APP
SCHEMBL18109543 1.00 TLR8 (1.00) TLR8TLR7KCNH2APP
SCHEMBL30608978 1.00 TLR8 (1.00) TLR8TLR7KCNH2APP
SCHEMBL24003679 0.91 KCNH2 (1.00) TLR8TLR7KCNH2
SCHEMBL22806213 0.84 TLR8 (0.73) TLR8TLR7KCNH2
SCHEMBL21325638 0.84 KCNH2 (0.85) TLR8TLR7KCNH2
SCHEMBL25201997 0.84 TLR8 (0.73) TLR8TLR7KCNH2
SCHEMBL24384697 0.84 KCNH2 (0.85) TLR8TLR7KCNH2
SCHEMBL13975903 0.84 KCNH2 (0.85) TLR8TLR7KCNH2

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
CN-112174960-B Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds 吉利德科学公司 2023-10-10 — — CN disclosed
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