SCHEMBL31240322

SCHEMBL31240322

COc1ccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ RIOK2 Q9BVS4 3/20 0.55
▸ WNT3A P56704 5/20 0.55
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ GSK3A P49840 1/20 0.48
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NR3C2 P08235 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ROCK2 O75116 2/20 0.45

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
SCHEMBL31240402 0.90 ROCK1 (0.54) MAPK10RIOK2WNT3AGSK3ACDK2
SCHEMBL31240436 0.90 WNT3A (0.47) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL31240714 0.89 WNT3A (0.55) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL31240675 0.89 WNT3A (0.52) RIOK2WNT3ACDK2CDK5MEN1
SCHEMBL31240240 0.87 MAPK14 (0.55) WNT3ACDK2MEN1RAB9AKMT2A
SCHEMBL31240349 0.87 WNT3A (0.50) MAPK10RIOK2WNT3AGSK3ACDK2
SCHEMBL31240509 0.87 JAK2 (0.56) WNT3ACDK2MEN1RAB9AKMT2A
SCHEMBL31240493 0.87 WNT3A (0.57) RIOK2WNT3ACDK2MEN1RAB9A
SCHEMBL31240457 0.86 WNT3A (0.50) RIOK2WNT3ACDK2MEN1RAB9A
SCHEMBL31240433 0.86 CDK1 (0.51) RIOK2WNT3AGSK3ACDK2CDK5

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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