SCHEMBL28890496

SCHEMBL28890496

CCCC[C@H](CO)Nc1cc(N)nc2ccnn12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.43
▸ TLR7 Q9NYK1 4/20 0.43
▸ KCNN3 Q9UGI6 2/20 0.40
▸ CRHR1 P34998 1/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CCNH P51946 1/20 0.39
▸ KCNH2 Q12809 5/20 0.36
▸ CDK2 P24941 1/20 0.35
▸ CDK13 Q14004 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL28890488 0.87 KCNN3 (0.54) TLR8TLR7KCNN3CRHR1
SCHEMBL29236251 0.87 KCNN3 (0.54) TLR8TLR7KCNN3CRHR1
SCHEMBL28890492 0.67 TLR8 (0.67) TLR8TLR7KCNH2
SCHEMBL29236195 0.67 TLR8 (0.67) TLR8TLR7KCNH2
SCHEMBL28890448 0.67 TLR8 (0.67) TLR8TLR7KCNH2
SCHEMBL28890489 0.67 TLR8 (0.50) TLR8TLR7KCNH2
SCHEMBL23472394 0.66 TLR8 (0.55) TLR8TLR7CDK9CCNT1KCNH2
SCHEMBL22958982 0.65 KCNH2 (0.60) TLR8TLR7KCNH2
SCHEMBL29956995 0.64 TLR8 (0.68) TLR8TLR7KCNH2
SCHEMBL28890540 0.64 TLR8 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362155-B Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-06-18 — — CN disclosed
CN-115362155-A Arylamine derivatives, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-11-18 — — CN disclosed
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