Ruxolitinib

Ruxolitinib

SCHEMBL29677353

N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

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 Ruxolitinib. 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
JAK2 known ✓ O60674 15/20 1.00
JAK1 known ✓ P23458 14/20 1.00
JAK3 known ✓ P52333 6/20 1.00
TYK2 known ✓ P29597 3/20 1.00
ABL1 P00519 3/20 1.00
DAPK3 O43293 2/20 1.00
PAK4 O96013 2/20 1.00
RET P07949 2/20 1.00
LTK P29376 2/20 1.00
CSNK1A1 P48729 2/20 1.00
CLK2 P49760 2/20 1.00
TNK2 Q07912 2/20 1.00
ROCK1 Q13464 2/20 1.00
DYRK1A Q13627 2/20 1.00
IKBKE Q14164 2/20 1.00
NTRK3 Q16288 2/20 1.00
NTRK2 Q16620 2/20 1.00
LRRK2 Q5S007 2/20 1.00
TAOK1 Q7L7X3 2/20 1.00
CAMK1D Q8IU85 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
Ruxolitinib SCHEMBL29349794 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL26927161 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL99225 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL101279 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL31247553 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL171319 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL26927158 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL29808249 1.00 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
SCHEMBL99371 0.99 JAK2 (0.98) JAK2JAK1JAK3ABL1TYK2
SCHEMBL99245 0.99 JAK2 (0.98) JAK2JAK1JAK3ABL1TYK2

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
EP-4274578-A1 COMBINATION THERAPY COMPRISING JAK PATHWAY INHIBITOR AND ROCK INHIBITOR Incyte Corporation (US) 2023-11-15 EP claimed
WO-2022150676-A1 COMBINATION THERAPY COMPRISING JAK PATHWAY INHIBITOR AND ROCK INHIBITOR INCYTE CORPORATION (US) 2022-07-14 WO claimed
CN-117964625-A Preparation method of high-optical-purity ponatinib intermediate 安徽万邦医药科技股份有限公司 2024-05-03 CN disclosed
US-20220372136-A1 METHODS FOR TREATING ANEMIA OF CHRONIC DISEASE DISC MEDICINE, INC. (US) 2022-11-24 US disclosed
EP-4041243-A1 METHODS FOR TREATING ANEMIA OF CHRONIC DISEASE Disc Medicine, Inc. (US) 2022-08-17 EP disclosed
EP-4041241-A1 METHODS FOR TREATING MYELOFIBROSIS AND RELATED CONDITIONS Disc Medicine, Inc. (US) 2022-08-17 EP disclosed