SCHEMBL30147243

SCHEMBL30147243

COc1ccc2c(Nc3cc(C)[nH]n3)nc(N(C)C3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.49
▸ JAK1 P23458 8/20 0.49
▸ TYK2 P29597 10/20 0.48
▸ JAK2 O60674 5/20 0.48
▸ AURKA O14965 3/20 0.46
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL24995838 1.00 JAK3 (0.49) JAK3JAK1TYK2JAK2AURKA
SCHEMBL23878891 0.90 AURKA (0.51) JAK3JAK1TYK2JAK2AURKA
SCHEMBL22055034 0.85 GPR119 (0.55) JAK3JAK1TYK2JAK2AURKA
SCHEMBL30147236 0.85 GPR119 (0.55) JAK3JAK1TYK2JAK2AURKA
SCHEMBL24995872 0.84 JAK3 (0.49) JAK3JAK1TYK2JAK2
SCHEMBL30147194 0.84 JAK3 (0.49) JAK3JAK1TYK2JAK2
SCHEMBL24995837 0.83 JAK3 (0.49) JAK3JAK1TYK2JAK2
SCHEMBL30147233 0.83 JAK3 (0.49) JAK3JAK1TYK2JAK2
SCHEMBL30147231 0.83 JAK3 (0.49) JAK3JAK1TYK2JAK2
SCHEMBL30147263 0.83 JAK1 (0.53) JAK3JAK1TYK2JAK2

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
Send feedback