SCHEMBL25407046

SCHEMBL25407046

COc1nn(C)cc1Nc1ncc(Cl)c(-c2c[nH]c3c(NC(=O)C(C)N4CCN(C)CC4)cccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 1.00
▸ JAK1 P23458 18/20 1.00
▸ JAK3 P52333 3/20 1.00
▸ KCNH2 Q12809 2/20 1.00
▸ TYK2 P29597 1/20 0.79

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
SCHEMBL29394439 1.00 JAK2 (1.00) JAK2JAK1JAK3KCNH2TYK2
SCHEMBL18662630 1.00 JAK2 (1.00) JAK2JAK1JAK3KCNH2TYK2
SCHEMBL29393728 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL18662709 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL25410629 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL18662622 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL25407870 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL29394452 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL18662595 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2
SCHEMBL29394440 0.93 JAK1 (1.00) JAK2JAK1JAK3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353168-B1 COMPOUNDS AND METHODS FOR INHIBITING JAK DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-08-30 — — EP claimed
EP-3353168-B1 COMPOUNDS AND METHODS FOR INHIBITING JAK DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-08-30 — — EP disclosed
EP-4219482-A1 COMPOUNDS AND METHODS FOR INHIBITING JAK DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-08-02 — — EP disclosed
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