SCHEMBL25410133

SCHEMBL25410133

COCCN1CCN(C(C)C(=O)Nc2cccc3c(-c4nc(Nc5cn(C)nc5OC)ncc4F)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 14/20 1.00
▸ JAK3 P52333 2/20 0.73
▸ KCNH2 Q12809 2/20 0.73

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
SCHEMBL29394800 1.00 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662647 1.00 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662634 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL26067059 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL29392366 0.95 JAK1 (1.00) JAK1JAK2
SCHEMBL18662708 0.94 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL25409544 0.94 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662675 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL25407379 0.93 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL25407076 0.92 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 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
CN-111848586-A Compounds and methods for inhibiting JAK 迪哲(江苏)医药有限公司 2020-10-30 — — CN 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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