SCHEMBL30663452

SCHEMBL30663452

CNC(=O)c1nnccc1Nc1cccc2c1N(C)Cc1cn(C)nc1-2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.37
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL30703087 0.94 TYK2 (0.39) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30703084 0.90 TYK2 (0.38) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30703094 0.90 TYK2 (0.40) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30663463 0.86 TYK2 (0.38) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30703096 0.84 TYK2 (0.37) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30703073 0.83 NUDT1 (0.43) TYK2JAK1STAT3
SCHEMBL25897794 0.83 TYK2 (0.51) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30703069 0.82 TYK2 (0.39) TYK2JAK2JAK1STAT3JAK3
SCHEMBL29766494 0.82 TYK2 (0.59) TYK2JAK2JAK1STAT3JAK3
SCHEMBL25897194 0.82 TYK2 (0.59) TYK2JAK2JAK1STAT3JAK3

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-117120440-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2023-11-24 — — CN claimed
CN-117377669-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2024-01-09 — — CN disclosed
CN-117120440-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2023-11-24 — — CN disclosed
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