SCHEMBL30018516

SCHEMBL30018516

CS(=O)(=O)c1cccc(Nc2ncc(F)c(-c3c[nH]c4c([N+](=O)[O-])cccc34)n2)c1F

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.61
▸ JAK2 O60674 12/20 0.61
▸ TYK2 P29597 1/20 0.57

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
SCHEMBL21751129 1.00 JAK1 (0.61) JAK1JAK2TYK2
SCHEMBL20400706 0.92 JAK2 (0.62) JAK1JAK2
SCHEMBL30018202 0.92 JAK2 (0.62) JAK1JAK2
SCHEMBL25331335 0.92 JAK1 (0.62) JAK1JAK2
SCHEMBL20400705 0.86 JAK1 (0.65) JAK1JAK2TYK2
SCHEMBL30018070 0.86 JAK1 (0.65) JAK1JAK2TYK2
SCHEMBL30018494 0.84 JAK2 (0.63) JAK1JAK2
SCHEMBL23130598 0.84 JAK2 (0.53) JAK1JAK2
SCHEMBL20400701 0.84 JAK2 (0.63) JAK1JAK2
SCHEMBL21870794 0.83 JAK1 (0.61) JAK1JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924249-A Preparation method of JAK1 inhibitor AZD4604 云南万宏医药科技有限公司 2024-04-26 — — CN claimed
CN-115925693-B JAK1 selective inhibitors 阿斯利康(瑞典)有限公司 2024-11-12 — — CN disclosed
CN-118580223-A Xinafoate salts of JAK inhibiting compounds 阿斯利康(瑞典)有限公司 2024-09-03 — — CN disclosed
CN-112424187-B Xinafoate salts of JAK inhibiting compounds 阿斯利康(瑞典)有限公司 2024-06-21 — — CN disclosed
CN-117924249-A Preparation method of JAK1 inhibitor AZD4604 云南万宏医药科技有限公司 2024-04-26 — — CN disclosed
CN-115925693-A Selective inhibitors of JAK1 阿斯利康(瑞典)有限公司 2023-04-07 — — CN disclosed
CN-110461830-B Selective inhibitors of JAK1 阿斯利康(瑞典)有限公司 2022-11-01 — — CN disclosed
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