SCHEMBL30147244

SCHEMBL30147244

Cc1cc(Nc2nc(NC3CC4CCCC(C3)N4C(=O)OC(C)(C)C)nc3sccc23)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 11/20 0.47
▸ TYK2 P29597 11/20 0.47
▸ JAK3 P52333 11/20 0.47
▸ JAK2 O60674 10/20 0.47
▸ GPR119 Q8TDV5 2/20 0.45
▸ KAT2B Q92831 1/20 0.42
▸ PLK4 O00444 2/20 0.41
▸ PAK4 O96013 2/20 0.41
▸ BRD4 O60885 3/20 0.40

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
SCHEMBL23878837 1.00 JAK1 (0.47) JAK1TYK2JAK3JAK2GPR119
SCHEMBL22054234 1.00 JAK1 (0.47) JAK1TYK2JAK3JAK2GPR119
SCHEMBL22054224 0.97 GPR119 (0.47) JAK1TYK2JAK3JAK2GPR119
SCHEMBL23878809 0.97 GPR119 (0.47) JAK1TYK2JAK3JAK2GPR119
SCHEMBL23889574 0.96 JAK3 (0.44) JAK1TYK2JAK3JAK2GPR119
SCHEMBL23879004 0.89 TYK2 (0.47) JAK1TYK2JAK3JAK2PLK4
SCHEMBL30147242 0.89 TYK2 (0.48) JAK1TYK2JAK3JAK2PLK4
SCHEMBL22054226 0.89 JAK1 (0.47) JAK1TYK2JAK3JAK2GPR119
SCHEMBL23889629 0.89 JAK1 (0.47) JAK1TYK2JAK3JAK2GPR119
SCHEMBL30147222 0.89 JAK1 (0.47) JAK1TYK2JAK3JAK2GPR119

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-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-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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