SCHEMBL31240563

SCHEMBL31240563

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Cc4cccnc4)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 12/20 0.51
▸ WNT1 P04628 9/20 0.47
▸ PIK3C3 Q8NEB9 2/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ WNT3A P56704 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ CLK2 P49760 3/20 0.45
▸ CLK3 P49761 3/20 0.45

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
SCHEMBL31240493 0.90 WNT3A (0.57) DYRK1AWNT1GSK3BWNT3AJAK2
SCHEMBL31240509 0.88 JAK2 (0.56) DYRK1AWNT1GSK3BWNT3AJAK2
SCHEMBL31240445 0.87 WNT3A (0.47) DYRK1AWNT1WNT3AJAK2
SCHEMBL26685765 0.87 MAPK1 (0.54) DYRK1APIK3C3
SCHEMBL30633343 0.87 MAPK1 (0.54) DYRK1APIK3C3
SCHEMBL31240675 0.86 WNT3A (0.52) WNT3AJAK2
SCHEMBL31240382 0.85 MAPK1 (0.52) DYRK1AGSK3BWNT3ACLK2CLK3
SCHEMBL31240463 0.85 PSEN1 (0.54) WNT3AJAK2
SCHEMBL31240399 0.85 JAK2 (0.54) WNT3AJAK2CLK2
SCHEMBL31240240 0.84 MAPK14 (0.55) GSK3BWNT3AJAK2

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-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP 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
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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