SCHEMBL30633374

SCHEMBL30633374

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(C(=O)NCCN5CCCCC5)cc34)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.56
▸ WNT1 P04628 9/20 0.56
▸ AURKA O14965 3/20 0.48
▸ AURKB Q96GD4 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ NUDT1 P36639 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RHEB Q15382 1/20 0.43
▸ CLK2 P49760 3/20 0.41
▸ CLK3 P49761 3/20 0.41

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
SCHEMBL26686261 1.00 DYRK1A (0.56) DYRK1AWNT1AURKAAURKBKDM4E
SCHEMBL31240454 0.87 DYRK1A (0.54) DYRK1AWNT1PARP1CLK2CLK3
SCHEMBL26685908 0.87 NUDT1 (0.49) DYRK1AWNT1NUDT1CLK2CLK3
SCHEMBL31240736 0.87 NUDT1 (0.49) DYRK1AWNT1NUDT1CLK2CLK3
SCHEMBL26686398 0.85 AURKA (0.44) DYRK1AWNT1AURKAAURKBKDM4E
SCHEMBL30633364 0.85 AURKA (0.44) DYRK1AWNT1AURKAAURKBKDM4E
SCHEMBL31240633 0.84 CCNK (0.54) DYRK1AWNT1KDM4ENUDT1CLK2
SCHEMBL26686484 0.84 CCNK (0.54) DYRK1AWNT1KDM4ENUDT1CLK2
SCHEMBL30633128 0.83 CCNK (0.55) DYRK1AWNT1NUDT1
SCHEMBL30633338 0.83 NUDT1 (0.48) DYRK1AWNT1NUDT1GSK3BCLK2

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
Send feedback