SCHEMBL31240481

SCHEMBL31240481

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(OCC6CCOCC6)c5)cc34)cc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.49
CYP2D6 P10635 1/20 0.46
GSK3B P49841 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL31240708 0.89 TBK1 (0.46) TBK1
SCHEMBL31240808 0.85 TBK1 (0.49) TBK1CYP2D6
SCHEMBL31240546 0.84 CAMKK2 (0.54) TBK1GSK3BCLK2CLK3DYRK1A
SCHEMBL31240417 0.81 CCNB2 (0.53) GSK3BCLK2CLK3DYRK1A
SCHEMBL31240534 0.81 PRMT5 (0.51) CLK2CLK3DYRK1A
SCHEMBL31240345 0.81 CLK2 (0.48) GSK3BCLK2CLK3DYRK1A
SCHEMBL31240341 0.80 CLK2 (0.48) CLK2CLK3DYRK1A
SCHEMBL31240700 0.79 CLK2 (0.58) TBK1CLK2CLK3DYRK1A
SCHEMBL26685993 0.79 GSK3B (0.44) TBK1GSK3BCLK2CLK3DYRK1A
SCHEMBL31240697 0.79 CYP2D6 (0.46) TBK1CYP2D6

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