SCHEMBL31240433

SCHEMBL31240433

CS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.51
▸ CDK2 P24941 4/20 0.51
▸ CDK4 P11802 1/20 0.51
▸ JAK2 O60674 7/20 0.49
▸ WNT3A P56704 1/20 0.49
▸ MAPK14 Q16539 4/20 0.48
▸ JAK3 P52333 4/20 0.46
▸ MAP4K4 O95819 4/20 0.46
▸ AURKB Q96GD4 4/20 0.46
▸ PLK4 O00444 3/20 0.46
▸ DAPK3 O43293 3/20 0.46
▸ DYRK3 O43781 3/20 0.46
▸ ROCK2 O75116 3/20 0.46
▸ MARK3 P27448 3/20 0.46
▸ TYK2 P29597 3/20 0.46
▸ CLK2 P49760 3/20 0.46
▸ CDK5 Q00535 3/20 0.46
▸ PRKCD Q05655 3/20 0.46
▸ ROCK1 Q13464 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46

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
SCHEMBL31240308 0.90 MAPK1 (0.49) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240714 0.88 WNT3A (0.55) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240675 0.88 WNT3A (0.52) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240349 0.86 WNT3A (0.50) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240240 0.86 MAPK14 (0.55) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240493 0.86 WNT3A (0.57) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240509 0.86 JAK2 (0.56) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240322 0.86 MAPK10 (0.58) CDK2WNT3AROCK2CDK5ROCK1
SCHEMBL31240457 0.86 WNT3A (0.50) CDK1CDK2CDK4JAK2WNT3A
SCHEMBL31240462 0.85 JAK2 (0.54) CDK1CDK2JAK2MAPK14JAK3

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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