SCHEMBL31240308

SCHEMBL31240308

CS(=O)(=O)c1cccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ TTK P33981 4/20 0.47
▸ JAK2 O60674 7/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ ROCK1 Q13464 5/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PLK4 O00444 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ CDK1 P06493 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ DAPK3 O43293 3/20 0.44
▸ DYRK3 O43781 3/20 0.44
▸ ROCK2 O75116 3/20 0.44
▸ MAP4K4 O95819 3/20 0.44
▸ MARK3 P27448 3/20 0.44
▸ TYK2 P29597 3/20 0.44
▸ CLK2 P49760 3/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ PRKCD Q05655 3/20 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
SCHEMBL31240433 0.90 CDK1 (0.51) TTKJAK2MAPK14WNT3AROCK1
SCHEMBL31240463 0.87 PSEN1 (0.54) JAK2MAPK14WNT3AROCK1PLK4
SCHEMBL31240445 0.87 WNT3A (0.47) MAPK1TTKJAK2MAPK14WNT3A
SCHEMBL31240493 0.86 WNT3A (0.57) TTKJAK2MAPK14WNT3ACDK1
SCHEMBL31240382 0.85 MAPK1 (0.52) MAPK1MAPK14WNT3AROCK1CDK1
SCHEMBL31240399 0.85 JAK2 (0.54) MAPK1JAK2WNT3APLK4CDK1
SCHEMBL31240402 0.85 ROCK1 (0.54) WNT3AROCK1CYP3A4CDK2ROCK2
SCHEMBL31240714 0.84 WNT3A (0.55) JAK2MAPK14WNT3AROCK1PLK4
SCHEMBL31240563 0.82 DYRK1A (0.51) JAK2WNT3ACLK2DYRK1APIK3C3
SCHEMBL31240509 0.82 JAK2 (0.56) TTKJAK2MAPK14WNT3ACDK1

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
Send feedback