SCHEMBL30633292

SCHEMBL30633292

CC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(CN4CCOCC4)cc23)cc2c(N)n[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 3/20 0.46
▸ CDK12 Q9NYV4 3/20 0.46
▸ CAMKK2 Q96RR4 7/20 0.43
▸ TBK1 Q9UHD2 7/20 0.42
▸ CHUK O15111 6/20 0.42
▸ MAPK8 P45983 6/20 0.42
▸ INSR P06213 3/20 0.40
▸ JAK2 O60674 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL26686550 1.00 CCNK (0.46) CCNKCDK12CAMKK2TBK1CHUK
SCHEMBL26686212 0.92 CCNK (0.40) CCNKCDK12CAMKK2TBK1CHUK
SCHEMBL30633347 0.92 CCNK (0.40) CCNKCDK12CAMKK2TBK1CHUK
SCHEMBL26685815 0.84 NUDT1 (0.44) CCNKCDK12CAMKK2CHUKMAPK8
SCHEMBL30633136 0.84 NUDT1 (0.44) CCNKCDK12CAMKK2CHUKMAPK8
SCHEMBL26686752 0.83 CCNK (0.52) CCNKCDK12CAMKK2TBK1CHUK
SCHEMBL31240468 0.83 CCNK (0.52) CCNKCDK12CAMKK2TBK1CHUK
SCHEMBL26686660 0.80 KDM5B (0.33) CCNKCDK12TBK1CHUK
SCHEMBL26686396 0.79 CCNK (0.41) CCNKCDK12CAMKK2TBK1CHUK
SCHEMBL26686177 0.79 IKBKB (0.42) TBK1CHUKJAK2PIK3C3

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 3 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 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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