SCHEMBL30146792

SCHEMBL30146792

CNCC(=O)N1C2CCCC1CC(Nc1nc(Nc3cc(C)[nH]n3)c3ccsc3n1)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.49
▸ JAK3 P52333 16/20 0.49
▸ JAK1 P23458 14/20 0.49
▸ JAK2 O60674 11/20 0.49
▸ PLK4 O00444 3/20 0.41
▸ PAK4 O96013 2/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL22054218 1.00 TYK2 (0.49) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23878952 1.00 TYK2 (0.49) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22054610 0.91 TYK2 (0.46) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22054611 0.91 TYK2 (0.46) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22054962 0.90 JAK3 (0.61) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23878782 0.90 JAK3 (0.61) TYK2JAK3JAK1JAK2PLK4
SCHEMBL23879004 0.90 TYK2 (0.47) TYK2JAK3JAK1JAK2PLK4
SCHEMBL30147242 0.90 TYK2 (0.48) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22055076 0.89 TYK2 (0.44) TYK2JAK3JAK1JAK2PLK4
SCHEMBL22055075 0.89 TYK2 (0.44) TYK2JAK3JAK1JAK2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667228-A Salt and crystal form of heteroaromatic derivative and preparation method of salt and crystal form 上海翰森生物医药科技有限公司 2023-01-31 — — CN claimed
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-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-115667228-A Salt and crystal form of heteroaromatic derivative and preparation method of salt and crystal form 上海翰森生物医药科技有限公司 2023-01-31 — — 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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