SCHEMBL25201997

SCHEMBL25201997

CCCCC(CO)Nc1nc(N)nc2cnccc12

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.73
▸ TLR7 Q9NYK1 3/20 0.73
▸ KCNH2 Q12809 11/20 0.61
▸ LATS1 O95835 1/20 0.56
▸ LATS2 Q9NRM7 1/20 0.56

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
SCHEMBL25184752 0.97 TLR8 (0.68) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL25192103 0.93 TLR8 (0.62) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL30608943 0.84 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL30608978 0.84 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109543 0.84 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109290 0.84 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109292 0.84 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL30376965 0.83 TLR8 (0.50) TLR8TLR7KCNH2LATS1LATS2
SCHEMBL24384697 0.81 KCNH2 (0.85) TLR8TLR7KCNH2
SCHEMBL21325638 0.81 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 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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