SCHEMBL25194884

SCHEMBL25194884

CCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)ncc12

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 11/20 0.72
▸ TLR7 Q9NYK1 4/20 0.62
▸ KCNH2 Q12809 8/20 0.37
▸ LATS1 O95835 1/20 0.33
▸ LATS2 Q9NRM7 1/20 0.33

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
SCHEMBL25194886 1.00 TLR8 (0.72) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL25191521 0.92 TLR8 (0.70) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL25265229 0.88 TLR8 (0.67) TLR8TLR7KCNH2
SCHEMBL25190939 0.88 TLR8 (0.67) TLR8TLR7KCNH2
SCHEMBL18109449 0.83 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109451 0.83 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL25199509 0.82 TLR8 (0.67) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL25265039 0.81 TLR8 (0.67) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL25188606 0.81 TLR8 (0.62) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL25192104 0.81 TLR8 (0.67) TLR8TLR7KCNH2LATS1LATS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116472047-A Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-07-21 — — CN disclosed
WO-2023078241-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-05-11 — — WO disclosed
WO-2023078241-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-05-11 — — WO disclosed
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