SCHEMBL25236289

SCHEMBL25236289

CCCS(=O)(=O)N1CC[C@@H](n2c([C@@H](C)O)nc3cnc4[nH]ccc4c32)C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.62
JAK2 O60674 5/20 0.62
TYK2 P29597 7/20 0.59
JAK3 P52333 7/20 0.59
CYP3A4 P08684 3/20 0.59
KCNH2 Q12809 1/20 0.56

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
SCHEMBL25285615 1.00 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL29460550 1.00 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL31297994 1.00 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25238186 1.00 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL29460500 1.00 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25279862 0.95 JAK1 (0.61) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL31297983 0.95 JAK1 (0.61) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL29460613 0.95 JAK1 (0.61) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL30995737 0.95 JAK1 (0.67) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25278690 0.95 JAK1 (0.67) JAK1JAK2TYK2JAK3CYP3A4

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
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
CN-116925077-A Pyrido ring compound, and preparation method, intermediate, composition and application thereof 一又生物(上海)有限公司 2023-10-24 CN disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
CN-114149428-B Pyrido ring compound, and preparation method, intermediate, composition and application thereof 中国药科大学 2023-06-13 CN disclosed
CN-114149428-A Pyridine-fused ring compound and preparation method, intermediate, composition and application thereof 中国药科大学 2022-03-08 CN disclosed