SCHEMBL30065932

SCHEMBL30065932

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)nc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.78
▸ JAK2 O60674 4/20 0.78
▸ JAK1 P23458 3/20 0.78
▸ STAT3 P40763 1/20 0.78
▸ STAT1 P42224 1/20 0.78
▸ JAK3 P52333 1/20 0.78
▸ BMPR2 Q13873 1/20 0.78

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
SCHEMBL30065989 0.94 TYK2 (0.77) TYK2JAK2JAK1STAT3STAT1
SCHEMBL22313324 0.94 TYK2 (0.77) TYK2JAK2JAK1STAT3STAT1
SCHEMBL30065951 0.88 TYK2 (0.76) TYK2JAK2JAK1STAT3STAT1
Deucravacitinib SCHEMBL29424395 0.87 TYK2 (1.00) TYK2JAK2JAK1STAT3STAT1
Deucravacitinib SCHEMBL20520348 0.87 TYK2 (1.00) TYK2JAK2JAK1STAT3STAT1
Deucravacitinib SCHEMBL29375597 0.87 TYK2 (0.98) TYK2JAK2JAK1STAT3STAT1
Deucravacitinib SCHEMBL29619500 0.87 TYK2 (0.98) TYK2JAK2JAK1STAT3STAT1
Deucravacitinib SCHEMBL30278579 0.87 TYK2 (0.98) TYK2JAK2JAK1STAT3STAT1
SCHEMBL30924152 0.85 TYK2 (0.76) TYK2JAK2JAK1STAT3STAT1
SCHEMBL30924053 0.85 TYK2 (0.75) TYK2JAK2JAK1STAT3STAT1

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-115448910-A Pyridazine derivative inhibitor, and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-09 — — CN disclosed
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