SCHEMBL31369046

SCHEMBL31369046

CCC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.84
▸ JAK2 O60674 5/20 0.81
▸ 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
SCHEMBL22647268 1.00 TYK2 (0.84) TYK2JAK2JAK1STAT3STAT1
SCHEMBL22288321 0.94 TYK2 (0.82) TYK2JAK2JAK1STAT3STAT1
SCHEMBL31369050 0.92 TYK2 (0.71) TYK2JAK2JAK1STAT3STAT1
SCHEMBL31369053 0.92 TYK2 (0.71) TYK2JAK2JAK1STAT3STAT1
SCHEMBL28648935 0.92 TYK2 (0.71) TYK2JAK2JAK1STAT3STAT1
SCHEMBL23096153 0.91 TYK2 (0.87) TYK2JAK2JAK1STAT3STAT1
SCHEMBL22647341 0.91 TYK2 (1.00) TYK2JAK2JAK1STAT3STAT1
SCHEMBL22647338 0.91 TYK2 (0.87) TYK2JAK2JAK1STAT3STAT1
SCHEMBL22263494 0.91 TYK2 (0.87) TYK2JAK2JAK1STAT3STAT1
SCHEMBL32691810 0.91 TYK2 (0.87) 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-113563309-B Pyridine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-12-13 — — CN disclosed
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