SCHEMBL30633347

SCHEMBL30633347

CC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(CCN4CCOCC4)cc23)cc2c(N)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.40
▸ CDK12 Q9NYV4 2/20 0.40
▸ CAMKK2 Q96RR4 9/20 0.39
▸ MAPK8 P45983 7/20 0.39
▸ CHUK O15111 6/20 0.39
▸ INSR P06213 4/20 0.39
▸ TBK1 Q9UHD2 5/20 0.38
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35

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
SCHEMBL26686212 1.00 CCNK (0.40) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL30633292 0.92 CCNK (0.46) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL26686550 0.92 CCNK (0.46) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL26686396 0.88 CCNK (0.41) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL26686734 0.83 CCNK (0.44) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL30633136 0.82 NUDT1 (0.44) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL26685815 0.82 NUDT1 (0.44) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL26686660 0.79 KDM5B (0.33) CCNKCDK12CHUKTBK1
SCHEMBL26686058 0.79 JAK2 (0.53) CCNKCDK12CAMKK2MAPK8CHUK
SCHEMBL26686177 0.78 IKBKB (0.42) CHUKTBK1AURKBPIK3C3

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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