SCHEMBL29358231

SCHEMBL29358231

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C3CC3)n2)c1OC

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.84
▸ JAK2 O60674 3/20 0.84
▸ JAK1 P23458 3/20 0.84
▸ JAK3 P52333 2/20 0.84
▸ STAT3 P40763 1/20 0.84
▸ STAT1 P42224 1/20 0.84
▸ BMPR2 Q13873 1/20 0.84

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
Deucravacitinib SCHEMBL29672334 0.91 TYK2 (0.94) TYK2JAK2JAK1JAK3STAT3
Deucravacitinib SCHEMBL20520348 0.91 TYK2 (1.00) TYK2JAK2JAK1JAK3STAT3
Deucravacitinib SCHEMBL29424395 0.91 TYK2 (1.00) TYK2JAK2JAK1JAK3STAT3
SCHEMBL31550526 0.91 TYK2 (0.69) TYK2JAK2JAK1JAK3STAT3
Deucravacitinib SCHEMBL29375597 0.91 TYK2 (0.98) TYK2JAK2JAK1JAK3STAT3
Deucravacitinib SCHEMBL30278579 0.91 TYK2 (0.98) TYK2JAK2JAK1JAK3STAT3
Deucravacitinib SCHEMBL29619500 0.91 TYK2 (0.98) TYK2JAK2JAK1JAK3STAT3
SCHEMBL22313869 0.90 TYK2 (0.72) TYK2JAK2JAK1JAK3STAT3
SCHEMBL29352752 0.89 TYK2 (0.70) TYK2JAK2JAK1JAK3STAT3
SCHEMBL30065982 0.89 TYK2 (0.83) TYK2JAK2JAK1JAK3STAT3

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-115667246-A Crystal form of pyridazine derivative free base and preparation method and application thereof 上海翰森生物医药科技有限公司 2023-01-31 — — CN disclosed
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
WO-2022017494-A1 CRYSTAL FORM OF PYRIDAZINE DERIVATIVE FREE BASE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-01-27 — — WO disclosed
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