SCHEMBL31240386

SCHEMBL31240386

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Cc4cccc([N+](=O)[O-])c4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.52
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ F11 P03951 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ CGAS Q8N884 1/20 0.38

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
SCHEMBL31240445 0.87 WNT3A (0.47) CDK2WNT3AMEN1KMT2AF11
SCHEMBL31240493 0.86 WNT3A (0.57) CDK2WNT3AMEN1KMT2AF11
SCHEMBL31240382 0.85 MAPK1 (0.52) CDK2WNT3AGSK3BROCK1
SCHEMBL31240463 0.85 PSEN1 (0.54) CDK2WNT3AMEN1KMT2AJAK2
SCHEMBL31240399 0.85 JAK2 (0.54) CDK2WNT3AF11JAK2RIOK2
SCHEMBL31240402 0.85 ROCK1 (0.54) CDK2WNT3AROCK1RIOK2
SCHEMBL31240538 0.83 DYRK1A (0.52) WNT3AMEN1KMT2AMAPTRIOK2
SCHEMBL31240563 0.82 DYRK1A (0.51) WNT3AJAK2GSK3B
SCHEMBL31240675 0.82 WNT3A (0.52) CDK2WNT3AMEN1KMT2AJAK2
SCHEMBL31240509 0.82 JAK2 (0.56) CDK2WNT3AMEN1KMT2AJAK2

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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