SCHEMBL30633298

SCHEMBL30633298

CN1CCN(C(=O)c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 0.55
▸ HRH4 Q9H3N8 12/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ JAK2 O60674 2/20 0.47
▸ MAP3K11 Q16584 1/20 0.44
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ HRH1 P35367 1/20 0.43

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
SCHEMBL26685843 1.00 TBK1 (0.55) TBK1HRH4HRH3JAK2MAP3K11
SCHEMBL31420127 0.91 TBK1 (0.53) TBK1HRH4HRH3JAK2CLK2
SCHEMBL26685751 0.91 TBK1 (0.53) TBK1HRH4HRH3JAK2CLK2
SCHEMBL31240414 0.84 CCNT1 (0.49) JAK2MAP3K11CLK2CLK3DYRK1A
SCHEMBL26685791 0.82 NUDT1 (0.60) JAK2CLK2CLK3DYRK1A
SCHEMBL26686408 0.82 NUDT1 (0.48) JAK2CLK2CLK3DYRK1A
SCHEMBL31240425 0.82 NUDT1 (0.48) JAK2CLK2CLK3DYRK1A
SCHEMBL31420159 0.82 NUDT1 (0.60) JAK2CLK2CLK3DYRK1A
SCHEMBL30633398 0.81 NUDT1 (0.46) JAK2CLK2CLK3DYRK1A
SCHEMBL26686152 0.81 NUDT1 (0.46) JAK2CLK2CLK3DYRK1A

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 8 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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
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-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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