SCHEMBL28871034

SCHEMBL28871034

CCCC[C@H](CO)Nc1nc(N)nc2sc(C)cc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.60
▸ TLR7 Q9NYK1 5/20 0.60
▸ KCNH2 Q12809 11/20 0.53

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
SCHEMBL28871036 0.93 KCNH2 (0.51) TLR8TLR7KCNH2
SCHEMBL28871038 0.93 KCNH2 (0.51) TLR8TLR7KCNH2
SCHEMBL28871040 0.83 CX3CR1 (0.40) TLR8TLR7KCNH2
SCHEMBL16441145 0.81 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL16441143 0.81 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL17830003 0.81 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL28871032 0.80 TLR8 (0.64) TLR8TLR7KCNH2
SCHEMBL28871035 0.80 TLR8 (0.64) TLR8TLR7KCNH2
SCHEMBL24384697 0.77 KCNH2 (0.85) TLR8TLR7KCNH2
SCHEMBL21325638 0.77 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-115232146-A 2-aminothieno [2,3-d ] pyrimidine compound and preparation method and application thereof 山东大学 2022-10-25 — — CN disclosed
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