SCHEMBL30633136

SCHEMBL30633136

CC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(CO)cc23)cc2c(N)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.44
▸ CCNK O75909 3/20 0.38
▸ CDK12 Q9NYV4 3/20 0.38
▸ CHUK O15111 10/20 0.34
▸ IKBKB O14920 9/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ JAK2 O60674 2/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ AURKAIP1 Q9NWT8 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ CIT O14578 2/20 0.31

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
SCHEMBL26685815 1.00 NUDT1 (0.44) NUDT1CCNKCDK12CHUKIKBKB
SCHEMBL26685805 0.86 CHUK (0.37) NUDT1CCNKCDK12CHUKIKBKB
SCHEMBL30633151 0.86 CHUK (0.37) NUDT1CCNKCDK12CHUKIKBKB
SCHEMBL26686177 0.85 IKBKB (0.42) CHUKIKBKBROCK1CLK2DYRK1A
SCHEMBL26686660 0.85 KDM5B (0.33) NUDT1CCNKCDK12CHUKIKBKB
SCHEMBL26686550 0.84 CCNK (0.46) CCNKCDK12CHUKJAK2INSR
SCHEMBL30633292 0.84 CCNK (0.46) CCNKCDK12CHUKJAK2INSR
SCHEMBL30633155 0.83 NUDT1 (0.38) NUDT1CCNKCDK12CHUKCLK2
SCHEMBL26686416 0.83 NUDT1 (0.38) NUDT1CCNKCDK12CHUKCLK2
SCHEMBL30633347 0.82 CCNK (0.40) CCNKCDK12CHUKAURKBINSR

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

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