Zinc Ion

Zinc Ion

SCHEMBL31004935

COc1c(Nc2cnnc(NC(=O)C3CC3)c2)cccc1-c1nc2n(n1)CCN(C(=O)OC(C)(C)C)C2.[Zn+2]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.46
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ STAT3 P40763 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ BMPR2 Q13873 1/20 0.42

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
Zinc Ion SCHEMBL31004938 0.88 JAK3 (0.36) TYK2JAK2JAK3
SCHEMBL31004944 0.84 TYK2 (0.64) TYK2JAK2JAK1STAT3STAT1
SCHEMBL31004926 0.75 SMARCA2 (0.41) JAK2JAK3
SCHEMBL31004946 0.73 TYK2 (0.65) TYK2JAK2JAK1STAT3STAT1
SCHEMBL31004937 0.71 TYK2 (0.65) TYK2JAK2JAK1STAT3STAT1
SCHEMBL31004924 0.67 TYK2 (0.68) TYK2JAK2JAK1STAT3STAT1
SCHEMBL20140942 0.66 CKS1B (0.49) JAK2JAK3
SCHEMBL23900166 0.66 TYK2 (0.69) TYK2JAK2JAK1STAT3STAT1
SCHEMBL15933643 0.65 GPR119 (0.45) —
SCHEMBL23899828 0.65 TYK2 (0.80) TYK2JAK2JAK1STAT3STAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024174229-A1 COVALENT BINDING COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-08-29 — — WO disclosed
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