SCHEMBL30065951

SCHEMBL30065951

[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)nc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.76
▸ JAK1 P23458 4/20 0.76
▸ JAK2 O60674 4/20 0.68
▸ STAT3 P40763 1/20 0.68
▸ STAT1 P42224 1/20 0.68
▸ JAK3 P52333 1/20 0.68
▸ BMPR2 Q13873 1/20 0.68
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL30065955 0.94 TYK2 (0.75) TYK2JAK1JAK2STAT3STAT1
SCHEMBL22288328 0.94 TYK2 (0.75) TYK2JAK1JAK2STAT3STAT1
SCHEMBL28665049 0.90 TYK2 (0.66) TYK2JAK1JAK2STAT3STAT1
SCHEMBL28665008 0.88 JAK2 (0.74) TYK2JAK1JAK2STAT3STAT1
SCHEMBL31369049 0.88 JAK2 (0.74) TYK2JAK1JAK2STAT3STAT1
SCHEMBL30065932 0.88 TYK2 (0.78) TYK2JAK1JAK2STAT3STAT1
SCHEMBL18102143 0.87 TYK2 (1.00) TYK2JAK1JAK2STAT3STAT1
SCHEMBL30498307 0.84 TYK2 (0.61) TYK2JAK1JAK2STAT3STAT1
SCHEMBL30498174 0.84 TYK2 (0.60) TYK2JAK1JAK2STAT3STAT1
SCHEMBL30498286 0.84 TYK2 (0.67) TYK2JAK1JAK2STAT3STAT1

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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