SCHEMBL28647547

SCHEMBL28647547

CCC(=O)c1c(Nc2cccc(-c3ncn(C)n3)c2OC)cc(NC(=O)C2CC2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.74
▸ TYK2 P29597 19/20 0.69
▸ JAK1 P23458 3/20 0.66
▸ STAT3 P40763 1/20 0.64
▸ STAT1 P42224 1/20 0.64
▸ JAK3 P52333 1/20 0.64
▸ BMPR2 Q13873 1/20 0.64

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
SCHEMBL31369046 0.87 TYK2 (0.84) JAK2TYK2JAK1STAT3STAT1
SCHEMBL22647268 0.87 TYK2 (0.84) JAK2TYK2JAK1STAT3STAT1
SCHEMBL30968156 0.86 TYK2 (0.82) JAK2TYK2JAK1STAT3STAT1
SCHEMBL23779238 0.86 TYK2 (0.82) JAK2TYK2JAK1STAT3STAT1
Envucitinib SCHEMBL22647242 0.85 JAK2 (1.00) JAK2TYK2JAK1STAT3STAT1
SCHEMBL26045198 0.85 TYK2 (0.71) JAK2TYK2JAK1STAT3STAT1
Envucitinib SCHEMBL31369047 0.85 JAK2 (1.00) JAK2TYK2JAK1STAT3STAT1
SCHEMBL28642798 0.85 JAK2 (0.57) JAK2TYK2JAK1
SCHEMBL22647283 0.83 TYK2 (0.76) JAK2TYK2JAK1STAT3STAT1
SCHEMBL28662527 0.83 JAK2 (0.95) JAK2TYK2JAK1STAT3STAT1

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 2 patents. 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
CN-113563309-A Pyridine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2021-10-29 — — CN disclosed
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