Tofacitinib

Tofacitinib

SCHEMBL29351183

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

JAK1JAK2JAK3TYK2

The experimentally established mechanism targets of Tofacitinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 known ✓ P52333 19/20 1.00
▸ JAK2 known ✓ O60674 12/20 1.00
▸ JAK1 known ✓ P23458 11/20 1.00
▸ TYK2 known ✓ P29597 6/20 1.00
▸ PKN2 Q16513 4/20 1.00
▸ ROCK2 O75116 3/20 1.00
▸ PRKCD Q05655 3/20 1.00
▸ STK3 Q13188 3/20 1.00
▸ ROCK1 Q13464 3/20 1.00
▸ CAMK2D Q13557 3/20 1.00
▸ LRRK2 Q5S007 3/20 1.00
▸ MARK3 P27448 2/20 1.00
▸ MARK2 Q7KZI7 2/20 1.00
▸ DCLK1 O15075 2/20 1.00
▸ ABL1 P00519 2/20 1.00
▸ LCK P06239 2/20 1.00
▸ FYN P06241 2/20 1.00
▸ RET P07949 2/20 1.00
▸ DMPK Q09013 2/20 1.00
▸ MAP4K2 Q12851 2/20 1.00

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
Tofacitinib SCHEMBL1120705 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL29816283 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL11949309 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL28416782 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL23199919 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL322753 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL23058868 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL30341861 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL30925309 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL25703953 0.95 JAK3 (0.91) JAK3JAK2JAK1TYK2PKN2

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

Appears in 11156 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228644-B1 N-[4-[1-(1,4-DIOXASPIRO[4.5]DEC-8-YL)-4-(8-OXA-3-AZABICYCLO[3.2.1]OCT-3-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]PHENYL]-N'-METHYLUREA FOR USE IN THE TREATMENT OF COVID19 NANTCELL INC (US) 2026-05-27 — — EP claimed
EP-4746852-A1 LIPID AGGREGATES FOR INTRAARTICULAR ADMINISTRATION Universität Bern (CH) 2026-05-27 — — EP claimed
WO-2026105679-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR SKIN DISORDER 国立大学法人神戸大学 2026-05-21 — — WO claimed
WO-2026107075-A1 METHODS OF TREATING MULTIPLE SCLEROSIS WITH CD19-CD20 DUAL CAR-T CELLS GENENTECH, INC. (US) 2026-05-21 — — WO claimed
US-20260138973-A1 SUBSTITUTED PYRIDINES FOR USE IN TREATING OR PREVENTING INFLAMMATORY DISEASES OR DISEASES ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2026-05-21 — — US claimed
US-20260137680-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LTD (GB) 2026-05-21 — — US claimed
WO-2026103922-A1 CHIMERIC SHUTTLING RECEPTOR 深圳市湾岛细胞科技有限公司 2026-05-21 — — WO claimed
US-20260137953-A1 METHOD FOR TARGETED TREATING DERMATOSES STRATA SKIN SCIENCES INC. (US) 2026-05-21 — — US claimed
US-20260142011-A1 PHARMACOKINETIC MODELING SYSTEMS FOR IMPROVED THERAPEUTIC DOSING PROMETHEUS LABORATORIES INC (US) 2026-05-21 — — US claimed
CN-122060073-A Chimeric shuttle receptors 深圳市湾岛细胞科技有限公司 2026-05-19 — — CN claimed
WO-2022022434-A1 PHARMACEUTICAL COMPOSITION AND PREPARATION CONTAINING PHARMACEUTICALLY ACCEPTABLE SALT OF TOFACITINIB AND USE THEREOF 杭州和正医药有限公司 2022-02-03 — — WO claimed
WO-2022022624-A1 METHOD FOR PRODUCING CARDIOMYOCYTES BY MEANS OF REPROGRAMMING 南京昕瑞再生医药科技有限公司 2022-02-03 — — WO claimed
WO-2022022369-A1 SUSTAINED-RELEASE FORMULATION OF TOFACITINIB OR SALT THEREOF AND PREPARATION METHOD THEREFOR 中国科学院上海药物研究所 2022-02-03 — — WO claimed
WO-2022023490-A1 METHOD FOR TREATING IMMUNE TOXICITIES INDUCED BY IMMUNE CHECKPOINT INHIBITORS ASSISTANCE PUBLIQUE - HÔPITAUX DE PARIS (FR) 2022-02-03 — — WO claimed
EP-3944859-A1 METHOD FOR TREATING IMMUNE TOXICITIES INDUCED BY IMMUNE CHECKPOINT INHIBITORS Assistance Publique Hôpitaux de Paris (FR) 2022-02-02 — — EP claimed
CN-113975280-A Pharmaceutical composition containing pharmaceutically acceptable salt of tofacitinib, preparation and application 杭州和正医药有限公司 2022-01-28 — — CN claimed
WO-2022016844-A1 INTERFERON-BASED CANCER TREATMENT METHOD AND PHARMACEUTICAL COMPOSITION 厦门特宝生物工程股份有限公司 2022-01-27 — — WO claimed
EP-3942045-A1 A DBAIT MOLECULE IN COMBINATION WITH KINASE INHIBITOR FOR THE TREATMENT OF CANCER ONXEO (FR) 2022-01-26 — — EP claimed
EP-3685840-B1 COMBINATIONS OF TOFACITINIB AND CRISABOROLE FOR USE IN TREATING INFLAMMATORY SKIN DISEASES HEFEI INDUSTRIAL PHARMACEUTICAL INST CO LTD (CN) 2022-01-26 — — EP claimed
CN-113952460-A Compound external preparation for treating alopecia areata and preparation method thereof 长沙晶易医药科技有限公司 2022-01-21 — — CN claimed
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