SCHEMBL30633331

SCHEMBL30633331

CS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.56
▸ JAK3 P52333 4/20 0.53
▸ ROCK1 Q13464 4/20 0.53
▸ CLK4 Q9HAZ1 4/20 0.53
▸ KDR P35968 4/20 0.53
▸ PLK4 O00444 3/20 0.53
▸ DAPK3 O43293 3/20 0.53
▸ DYRK3 O43781 3/20 0.53
▸ ROCK2 O75116 3/20 0.53
▸ MAP4K4 O95819 3/20 0.53
▸ CDK1 P06493 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ MARK3 P27448 3/20 0.53
▸ TYK2 P29597 3/20 0.53
▸ CLK2 P49760 3/20 0.53
▸ CDK5 Q00535 3/20 0.53
▸ PRKCD Q05655 3/20 0.53
▸ DYRK1A Q13627 3/20 0.53
▸ PKN2 Q16513 3/20 0.53
▸ MARK2 Q7KZI7 3/20 0.53

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
SCHEMBL26686099 1.00 JAK2 (0.56) JAK2JAK3ROCK1CLK4KDR
SCHEMBL30633315 0.89 JAK2 (0.46) JAK2JAK3ROCK1CLK4KDR
SCHEMBL26686359 0.86 CNR1 (0.61) JAK2JAK3ROCK1CLK4KDR
SCHEMBL26686115 0.86 JAK2 (0.57) JAK2JAK3ROCK1CLK4KDR
SCHEMBL30633403 0.86 JAK2 (0.57) JAK2JAK3ROCK1CLK4KDR
SCHEMBL30633323 0.86 CNR1 (0.61) JAK2JAK3ROCK1CLK4KDR
SCHEMBL26685861 0.86 JAK2 (0.56) JAK2JAK3ROCK1CLK4KDR
SCHEMBL30633352 0.86 JAK2 (0.56) JAK2JAK3ROCK1CLK4KDR
SCHEMBL30633384 0.85 JAK2 (0.62) JAK2JAK3ROCK1CLK4KDR
SCHEMBL26685947 0.85 JAK2 (0.62) JAK2JAK3ROCK1CLK4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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