SCHEMBL25406444

SCHEMBL25406444

CCN1CCN(C(C)C(=O)Nc2cccc3c(-c4nc(Nc5cn(C)nc5OC)ncc4C)c[nH]c23)CC1

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 18/20 1.00
▸ JAK3 P52333 2/20 0.76
▸ KCNH2 Q12809 2/20 0.76

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
SCHEMBL18662627 1.00 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29394425 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL18662691 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL25410279 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL25408025 0.94 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662676 0.94 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL25407379 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662675 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662622 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662595 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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