SCHEMBL30703087

SCHEMBL30703087

[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)Cc1cn(C)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.39
▸ STAT3 P40763 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BMPR2 Q13873 1/20 0.39

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
SCHEMBL30703084 0.96 TYK2 (0.38) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30703094 0.96 TYK2 (0.40) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30663452 0.94 TYK2 (0.37) TYK2STAT3JAK2JAK1JAK3
SCHEMBL30703096 0.91 TYK2 (0.37) TYK2STAT3JAK2JAK1STAT1
SCHEMBL29842996 0.87 TYK2 (0.41) TYK2
SCHEMBL30663443 0.86 TYK2 (0.41) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30703067 0.86 TYK2 (0.37) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30708170 0.85 TYK2 (0.46) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30703079 0.85 TYK2 (0.40) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30663439 0.84 TYK2 (0.40) TYK2STAT3JAK2JAK1STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377669-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2024-01-09 — — 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
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