SCHEMBL30076157

SCHEMBL30076157

CCCC[C@H](CNC(C)=O)Nc1nc(N)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.72
▸ TLR7 Q9NYK1 3/20 0.72
▸ KCNH2 Q12809 10/20 0.71
▸ APP P05067 2/20 0.51

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
SCHEMBL19924271 1.00 TLR8 (0.72) TLR8TLR7KCNH2APP
SCHEMBL19924270 1.00 TLR8 (0.72) TLR8TLR7KCNH2APP
SCHEMBL19935595 0.87 TLR8 (0.54) TLR8TLR7KCNH2APP
SCHEMBL19924250 0.85 KCNH2 (0.73) TLR8TLR7KCNH2
SCHEMBL19924248 0.85 KCNH2 (0.73) TLR8TLR7KCNH2
SCHEMBL30076107 0.85 KCNH2 (0.73) TLR8TLR7KCNH2
SCHEMBL18109529 0.84 TLR8 (0.74) TLR8TLR7KCNH2
SCHEMBL18109528 0.84 TLR8 (0.74) TLR8TLR7KCNH2
SCHEMBL18109290 0.84 TLR8 (1.00) TLR8TLR7KCNH2APP
SCHEMBL18109543 0.84 TLR8 (1.00) TLR8TLR7KCNH2APP

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-109923106-B toll-like receptor modulator compounds 吉利德科学公司 2022-09-13 — — CN disclosed
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