SCHEMBL31240276

SCHEMBL31240276

NC(=O)Oc1cccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ PRKACA P17612 4/20 0.43
▸ WNT3A P56704 2/20 0.43
▸ RIOK2 Q9BVS4 2/20 0.41
▸ ROCK2 O75116 4/20 0.41
▸ F11 P03951 1/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ MAPK10 P53779 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
SCHEMBL31240402 0.90 ROCK1 (0.54) ROCK1CYP3A4PRKACAWNT3ARIOK2
SCHEMBL31240436 0.90 WNT3A (0.47) ROCK1PRKACAWNT3ARIOK2ROCK2
SCHEMBL31240545 0.89 WNT3A (0.46) ROCK1CYP3A4PRKACAWNT3ARIOK2
SCHEMBL31240445 0.87 WNT3A (0.47) ROCK1PRKACAWNT3ARIOK2ROCK2
SCHEMBL31240493 0.86 WNT3A (0.57) WNT3ARIOK2F11JAK2CDK2
SCHEMBL31240399 0.85 JAK2 (0.54) WNT3ARIOK2ROCK2F11JAK2
SCHEMBL31240463 0.85 PSEN1 (0.54) ROCK1PRKACAWNT3ARIOK2ROCK2
SCHEMBL31240382 0.85 MAPK1 (0.52) ROCK1PRKACAWNT3AROCK2CCNA2
SCHEMBL31240563 0.82 DYRK1A (0.51) WNT3AJAK2
SCHEMBL31240509 0.82 JAK2 (0.56) WNT3AJAK2CDK2TTK

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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