SCHEMBL30633294

SCHEMBL30633294

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)NCCCO)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 13/20 0.49
▸ JAK2 O60674 6/20 0.46
▸ PLK4 O00444 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL26685933 1.00 MAPK1 (0.49) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL30633349 0.94 MAPK1 (0.56) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL26686173 0.94 MAPK1 (0.56) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL26685737 0.88 MAPK1 (0.57) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL31240475 0.88 MAPK1 (0.57) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL26685764 0.86 MAPK1 (0.56) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL31240315 0.86 MAPK1 (0.56) MAPK1JAK2PLK4DAPK3DYRK3
SCHEMBL31240323 0.86 MAPK1 (0.47) MAPK1JAK2DYRK1A
SCHEMBL30633327 0.86 MAPK1 (0.60) MAPK1
SCHEMBL26686009 0.86 MAPK1 (0.47) MAPK1JAK2DYRK1A

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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