SCHEMBL30633398

SCHEMBL30633398

COC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 5/20 0.46
▸ CLK2 P49760 6/20 0.45
▸ DYRK1A Q13627 6/20 0.45
▸ CLK3 P49761 3/20 0.45
▸ JAK2 O60674 8/20 0.44
▸ TYK2 P29597 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ ROCK2 O75116 4/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ PLK4 O00444 2/20 0.41
▸ DAPK3 O43293 2/20 0.41
▸ DYRK3 O43781 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ MARK3 P27448 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ PRKCD Q05655 2/20 0.41
▸ PKN2 Q16513 2/20 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
SCHEMBL26686152 1.00 NUDT1 (0.46) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31240758 0.90 MMP13 (0.44) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26685885 0.90 MMP13 (0.49) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31240624 0.90 MMP13 (0.49) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26685791 0.88 NUDT1 (0.60) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31420159 0.88 NUDT1 (0.60) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31240425 0.88 NUDT1 (0.48) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26686408 0.88 NUDT1 (0.48) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31240633 0.85 CCNK (0.54) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26686484 0.85 CCNK (0.54) NUDT1CLK2DYRK1ACLK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO 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
Send feedback