SCHEMBL25368939

SCHEMBL25368939

COc1nn(C)cc1Nc1ncc(Br)c(-c2c[nH]c3c(N)cccc23)n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.65
▸ JAK2 O60674 16/20 0.65
▸ JAK3 P52333 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65

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
SCHEMBL24474852 0.90 JAK1 (0.65) JAK1JAK2JAK3KCNH2
SCHEMBL29431103 0.90 JAK1 (0.69) JAK1JAK2JAK3KCNH2
SCHEMBL18685106 0.90 JAK1 (0.69) JAK1JAK2JAK3KCNH2
SCHEMBL24474853 0.90 JAK1 (0.65) JAK1JAK2JAK3KCNH2
SCHEMBL25370213 0.86 JAK1 (0.64) JAK1JAK2JAK3KCNH2
SCHEMBL29431126 0.83 JAK1 (0.63) JAK1JAK2JAK3KCNH2
SCHEMBL18662644 0.83 JAK1 (0.63) JAK1JAK2JAK3KCNH2
SCHEMBL30480920 0.82 JAK1 (0.66) JAK1JAK2
SCHEMBL25370953 0.82 JAK1 (0.66) JAK1JAK2JAK3KCNH2
SCHEMBL25368326 0.82 JAK1 (0.66) JAK1JAK2

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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