SCHEMBL25410038

SCHEMBL25410038

CCOc1nn(C)cc1Nc1ncc(F)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 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 1.00
▸ JAK2 O60674 12/20 1.00
▸ JAK3 P52333 1/20 0.75
▸ KCNH2 Q12809 1/20 0.75

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
SCHEMBL26067062 1.00 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29395487 1.00 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662650 1.00 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL19551127 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL29392122 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL18662596 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL18662590 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL25407076 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29395238 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL26067049 0.93 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 claimed
EP-3353168-B1 COMPOUNDS AND METHODS FOR INHIBITING JAK DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-08-30 — — EP disclosed
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