SCHEMBL30227628

SCHEMBL30227628

Cc1cc(Nc2nc(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc3ncccc23)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.53
▸ JAK3 P52333 19/20 0.53
▸ JAK2 O60674 16/20 0.53
▸ JAK1 P23458 16/20 0.53
▸ GPR119 Q8TDV5 1/20 0.47
▸ P2RX3 P56373 1/20 0.44
▸ P2RX2 Q9UBL9 1/20 0.44

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
SCHEMBL22054128 1.00 TYK2 (0.53) TYK2JAK3JAK2JAK1GPR119
SCHEMBL23878910 0.89 TYK2 (0.57) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22054065 0.88 AURKA (0.53) TYK2JAK3JAK2JAK1GPR119
SCHEMBL30147209 0.88 AURKA (0.53) TYK2JAK3JAK2JAK1GPR119
SCHEMBL22055250 0.85 TYK2 (0.55) TYK2JAK3JAK2JAK1GPR119
SCHEMBL23878957 0.85 TYK2 (0.55) TYK2JAK3JAK2JAK1GPR119
SCHEMBL23878810 0.85 GPR119 (0.50) TYK2JAK3JAK2JAK1GPR119
SCHEMBL23889558 0.85 GPR119 (0.50) TYK2JAK3JAK2JAK1GPR119
SCHEMBL22054196 0.85 GPR119 (0.50) TYK2JAK3JAK2JAK1GPR119
SCHEMBL23878809 0.84 GPR119 (0.47) TYK2JAK3JAK2JAK1GPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003441-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-06-10 — — CN disclosed
CN-115925705-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-12-31 — — CN disclosed
CN-116003441-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-25 — — CN disclosed
CN-115925705-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-07 — — CN disclosed
CN-111511738-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-01-20 — — CN disclosed
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