SCHEMBL31240436

SCHEMBL31240436

NC(=O)Oc1ccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.47
▸ RIOK2 Q9BVS4 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ JAK2 O60674 5/20 0.42
▸ CDK1 P06493 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ MAPK14 Q16539 4/20 0.41
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL31240276 0.90 ROCK1 (0.43) WNT3ARIOK2MAPK10JAK2CDK2
SCHEMBL31240322 0.90 MAPK10 (0.58) WNT3ARIOK2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL31240675 0.88 WNT3A (0.52) WNT3ARIOK2MEN1RAB9AKMT2A
SCHEMBL31240240 0.86 MAPK14 (0.55) WNT3AMEN1RAB9AKMT2AJAK2
SCHEMBL31240349 0.86 WNT3A (0.50) WNT3ARIOK2MAPK10MEN1RAB9A
SCHEMBL31240714 0.86 WNT3A (0.55) WNT3ARIOK2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL31240493 0.86 WNT3A (0.57) WNT3ARIOK2MEN1RAB9AKMT2A
SCHEMBL31240509 0.86 JAK2 (0.56) WNT3AMEN1RAB9AKMT2AJAK2
SCHEMBL31240457 0.84 WNT3A (0.50) WNT3ARIOK2MEN1RAB9AKMT2A
SCHEMBL31240404 0.84 MAPK14 (0.52) WNT3ARIOK2JAK2CDK1CDK2

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
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