SCHEMBL30623094

SCHEMBL30623094

CCCC[C@](C)(CNC(=O)c1cnn(C)c1)Nc1nc(N)nc2cc(-c3ccn(C4CCN(C)CC4)c(=O)c3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.40
▸ TLR7 Q9NYK1 3/20 0.36
▸ DYRK1A Q13627 6/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ GAK O14976 1/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ MAP4K4 O95819 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
SCHEMBL29099892 0.93 TLR8 (0.34) TLR8TLR7DYRK1AGSK3BCLK2
SCHEMBL29099890 0.93 TLR8 (0.34) TLR8TLR7DYRK1AGSK3BCLK2
SCHEMBL30623078 0.87 TLR8 (0.55) TLR8TLR7GAKAXLMERTK
SCHEMBL30557848 0.84 TLR8 (0.45) TLR8TLR7DYRK1AGSK3BCLK2
SCHEMBL29093600 0.80 TLR8 (0.64) TLR8TLR7
SCHEMBL29093607 0.80 TLR8 (0.64) TLR8TLR7
SCHEMBL29093582 0.77 TLR8 (0.61) TLR8TLR7
SCHEMBL29093590 0.75 TLR8 (0.48) TLR8TLR7
SCHEMBL29093593 0.75 TLR8 (0.48) TLR8TLR7
SCHEMBL30623092 0.75 TLR8 (0.49) TLR8TLR7AXLMERTK

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-116969934-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-10-31 — — CN disclosed
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