SCHEMBL25368736

SCHEMBL25368736

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

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.79
▸ JAK2 O60674 16/20 0.79
▸ JAK3 P52333 2/20 0.69
▸ KCNH2 Q12809 2/20 0.69

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
SCHEMBL25368733 1.00 JAK1 (0.79) JAK1JAK2JAK3KCNH2
SCHEMBL25370236 0.92 JAK1 (0.80) JAK1JAK2
SCHEMBL25370238 0.92 JAK1 (0.80) JAK1JAK2
SCHEMBL25370003 0.92 JAK1 (0.79) JAK1JAK2JAK3KCNH2
SCHEMBL25370006 0.92 JAK1 (0.79) JAK1JAK2JAK3KCNH2
SCHEMBL25407870 0.88 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662595 0.88 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29394452 0.88 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662622 0.88 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29394440 0.88 JAK1 (1.00) JAK1JAK2JAK3KCNH2

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 2 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 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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