SCHEMBL29093600

SCHEMBL29093600

CCCC[C@](C)(CNC(=O)c1cnn(C)c1)Nc1nc(N)nc2cc(F)cnc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.64
▸ TLR7 Q9NYK1 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK8 P45983 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MET P08581 2/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL29093607 1.00 TLR8 (0.64) TLR8TLR7SMN1; SMN2LMNAHPGD
SCHEMBL29093593 0.89 TLR8 (0.48) TLR8TLR7SMN1; SMN2LMNAHPGD
SCHEMBL29093590 0.89 TLR8 (0.48) TLR8TLR7SMN1; SMN2LMNAHPGD
SCHEMBL29093582 0.86 TLR8 (0.61) TLR8TLR7LMNAHPGD
SCHEMBL18109542 0.84 TLR8 (0.75) TLR8TLR7KCNH2NLRP3
SCHEMBL18109545 0.84 TLR8 (0.75) TLR8TLR7KCNH2NLRP3
SCHEMBL30557848 0.84 TLR8 (0.45) TLR8TLR7KCNH2
SCHEMBL24060142 0.82 TLR8 (0.71) TLR8TLR7KCNH2NLRP3
SCHEMBL29093971 0.82 TLR8 (0.68) TLR8TLR7KCNH2
SCHEMBL29093970 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768883-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-09-19 — — CN disclosed
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