SCHEMBL31240545

SCHEMBL31240545

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Cc4cccc(OCc5ccccc5)c4)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.46
▸ GSK3B P49841 2/20 0.45
▸ TTK P33981 2/20 0.44
▸ RIOK2 Q9BVS4 2/20 0.44
▸ F11 P03951 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ WNT1 P04628 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ GLS O94925 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ GSK3A P49840 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL31240665 0.90 WNT3A (0.41) WNT3AGSK3BTTKRIOK2F11
SCHEMBL31240402 0.89 ROCK1 (0.54) WNT3ARIOK2CYP3A4ROCK1PRKACA
SCHEMBL31240493 0.89 WNT3A (0.57) WNT3AGSK3BTTKRIOK2F11
SCHEMBL31240276 0.89 ROCK1 (0.43) WNT3ATTKRIOK2F11CYP3A4
SCHEMBL30633297 0.87 MEN1 (0.48) GSK3BTTKF11JAK2MEN1
SCHEMBL26686298 0.87 MEN1 (0.48) GSK3BTTKF11JAK2MEN1
SCHEMBL31240445 0.86 WNT3A (0.47) WNT3ATTKRIOK2F11ROCK1
SCHEMBL31240347 0.84 PTK6 (0.49) GSK3BTTKF11PRKACAJAK2
SCHEMBL31240382 0.84 MAPK1 (0.52) WNT3AGSK3BROCK1PRKACACLK2
SCHEMBL31240463 0.84 PSEN1 (0.54) WNT3ARIOK2ROCK1PRKACAJAK2

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 2 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
Send feedback