SCHEMBL31240457

SCHEMBL31240457

CSc1ccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ MAPK14 Q16539 10/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ RIOK2 Q9BVS4 1/20 0.43

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
SCHEMBL31240714 0.89 WNT3A (0.55) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240675 0.89 WNT3A (0.52) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240349 0.87 WNT3A (0.50) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240240 0.87 MAPK14 (0.55) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240493 0.87 WNT3A (0.57) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240509 0.87 JAK2 (0.56) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240322 0.86 MAPK10 (0.58) WNT3ACDK2MEN1RAB9AKMT2A
SCHEMBL31240433 0.86 CDK1 (0.51) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240404 0.85 MAPK14 (0.52) WNT3ACDK1CDK4CDK2MAPK14
SCHEMBL31240436 0.84 WNT3A (0.47) WNT3ACDK1CDK4CDK2MAPK14

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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