SCHEMBL30633155

SCHEMBL30633155

COC(=O)c1cc2c(-c3cc(C#CC(C)(C)C)c4[nH]nc(N)c4c3)ccnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 6/20 0.38
▸ TBK1 Q9UHD2 7/20 0.34
▸ CHUK O15111 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CCNK O75909 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32

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
SCHEMBL26686416 1.00 NUDT1 (0.38) NUDT1TBK1CHUKINSRMAPK8
SCHEMBL30633151 0.83 CHUK (0.37) NUDT1TBK1CHUKINSRMAPK8
SCHEMBL26685805 0.83 CHUK (0.37) NUDT1TBK1CHUKINSRMAPK8
SCHEMBL26686177 0.83 IKBKB (0.42) TBK1CHUKCLK2CLK3DYRK1A
SCHEMBL30633136 0.83 NUDT1 (0.44) NUDT1CHUKINSRMAPK8CAMKK2
SCHEMBL26685815 0.83 NUDT1 (0.44) NUDT1CHUKINSRMAPK8CAMKK2
SCHEMBL26686016 0.80 IKBKB (0.44) TBK1CHUK
SCHEMBL26686186 0.79 BRD4 (0.43) NUDT1CHUKMAPK8CLK2DYRK1A
SCHEMBL31420163 0.79 BRD4 (0.43) NUDT1CHUKMAPK8CLK2DYRK1A
SCHEMBL26686245 0.79 CDK9 (0.42) TBK1CHUK

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
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP 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
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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