SCHEMBL30147236

SCHEMBL30147236

COc1ccc2c(Nc3cc(C)[nH]n3)nc(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.55
▸ TYK2 P29597 13/20 0.51
▸ JAK3 P52333 13/20 0.51
▸ JAK1 P23458 12/20 0.51
▸ JAK2 O60674 11/20 0.51
▸ AURKA O14965 3/20 0.47
▸ AURKB Q96GD4 1/20 0.47

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
SCHEMBL22055034 1.00 GPR119 (0.55) GPR119TYK2JAK3JAK1JAK2
SCHEMBL30147261 0.97 GPR119 (0.52) GPR119TYK2JAK3JAK1JAK2
SCHEMBL22054197 0.90 GPR119 (0.52) GPR119TYK2JAK3JAK1JAK2
SCHEMBL30147224 0.90 GPR119 (0.52) GPR119TYK2JAK3JAK1JAK2
SCHEMBL22054573 0.90 GPR119 (0.53) GPR119TYK2JAK3JAK1JAK2
SCHEMBL30147229 0.90 GPR119 (0.53) GPR119TYK2JAK3JAK1JAK2
SCHEMBL24071694 0.90 GPR119 (0.45) GPR119TYK2JAK3JAK1JAK2
SCHEMBL23878805 0.90 AURKA (0.53) TYK2JAK3JAK1JAK2AURKA
SCHEMBL22054065 0.89 AURKA (0.53) GPR119TYK2JAK3JAK1JAK2
SCHEMBL30147209 0.89 AURKA (0.53) GPR119TYK2JAK3JAK1JAK2

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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