SCHEMBL30076088

SCHEMBL30076088

CCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.54
▸ KCNH2 Q12809 7/20 0.50
▸ TLR7 Q9NYK1 5/20 0.44
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL19924183 1.00 TLR8 (0.54) TLR8KCNH2TLR7ADORA2AADORA1
SCHEMBL19924181 1.00 TLR8 (0.54) TLR8KCNH2TLR7ADORA2AADORA1
SCHEMBL19924208 0.88 TLR8 (0.41) TLR8KCNH2TLR7
SCHEMBL19924206 0.88 TLR8 (0.41) TLR8KCNH2TLR7
SCHEMBL30076142 0.88 TLR8 (0.41) TLR8KCNH2TLR7
SCHEMBL19924139 0.88 TLR8 (0.48) TLR8KCNH2TLR7ADORA2AADORA1
SCHEMBL30076056 0.88 TLR8 (0.48) TLR8KCNH2TLR7ADORA2AADORA1
SCHEMBL19924141 0.88 TLR8 (0.48) TLR8KCNH2TLR7ADORA2AADORA1
SCHEMBL21226297 0.88 TLR8 (0.44) TLR8KCNH2TLR7
SCHEMBL19924169 0.86 TLR8 (0.52) TLR8KCNH2TLR7

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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