SCHEMBL30076056

SCHEMBL30076056

CCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cc(F)c(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 13/20 0.48
▸ TLR7 Q9NYK1 6/20 0.43
▸ KCNH2 Q12809 6/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL19924141 1.00 TLR8 (0.48) TLR8TLR7KCNH2ADORA2AADORA1
SCHEMBL19924139 1.00 TLR8 (0.48) TLR8TLR7KCNH2ADORA2AADORA1
SCHEMBL19924183 0.88 TLR8 (0.54) TLR8TLR7KCNH2ADORA2AADORA1
SCHEMBL19924181 0.88 TLR8 (0.54) TLR8TLR7KCNH2ADORA2AADORA1
SCHEMBL30076088 0.88 TLR8 (0.54) TLR8TLR7KCNH2ADORA2AADORA1
SCHEMBL19924195 0.88 TLR8 (0.36) TLR8TLR7
SCHEMBL19924197 0.88 TLR8 (0.36) TLR8TLR7
SCHEMBL21226297 0.86 TLR8 (0.44) TLR8TLR7KCNH2
SCHEMBL23836683 0.84 TLR8 (0.39) TLR8TLR7
SCHEMBL19924169 0.83 TLR8 (0.52) 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-109923106-B toll-like receptor modulator compounds 吉利德科学公司 2022-09-13 — — CN disclosed
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