SCHEMBL30065989

SCHEMBL30065989

CNC(=O)c1nnc(NC(=O)C2CC2)nc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.77
▸ JAK2 O60674 6/20 0.77
▸ JAK1 P23458 4/20 0.69
▸ STAT3 P40763 2/20 0.69
▸ JAK3 P52333 2/20 0.69
▸ STAT1 P42224 1/20 0.69
▸ BMPR2 Q13873 1/20 0.69

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
SCHEMBL22313324 1.00 TYK2 (0.77) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30065932 0.94 TYK2 (0.78) TYK2JAK2JAK1STAT3JAK3
SCHEMBL30065955 0.87 TYK2 (0.75) TYK2JAK2JAK1STAT3JAK3
SCHEMBL22288328 0.87 TYK2 (0.75) TYK2JAK2JAK1STAT3JAK3
Cravacitinib SCHEMBL21091048 0.87 TYK2 (1.00) TYK2JAK2JAK1STAT3JAK3
Cravacitinib SCHEMBL30465860 0.87 TYK2 (1.00) TYK2JAK2JAK1STAT3JAK3
SCHEMBL22313977 0.85 TYK2 (0.59) TYK2JAK2JAK1STAT3JAK3
SCHEMBL26041867 0.82 TYK2 (0.77) TYK2JAK2JAK1STAT3JAK3
SCHEMBL25759743 0.82 TYK2 (0.88) TYK2JAK2JAK1STAT3JAK3
SCHEMBL28665049 0.82 TYK2 (0.66) 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 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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