SCHEMBL31240402

SCHEMBL31240402

COc1cccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 12/20 0.54
▸ CYP3A4 P08684 8/20 0.54
▸ PRKACA P17612 7/20 0.54
▸ RIOK2 Q9BVS4 3/20 0.52
▸ ROCK2 O75116 4/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ GSK3A P49840 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ WNT3A P56704 1/20 0.49
▸ NR3C2 P08235 1/20 0.48

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) ROCK1CYP3A4PRKACARIOK2ROCK2
SCHEMBL31240322 0.90 MAPK10 (0.58) ROCK1RIOK2ROCK2CDK2GSK3A
SCHEMBL31240545 0.89 WNT3A (0.46) ROCK1CYP3A4PRKACARIOK2GSK3A
SCHEMBL31240463 0.88 PSEN1 (0.54) ROCK1PRKACARIOK2ROCK2CCNA2
SCHEMBL31240445 0.88 WNT3A (0.47) ROCK1PRKACARIOK2ROCK2CDK2
SCHEMBL31240493 0.86 WNT3A (0.57) RIOK2CDK2WNT3A
SCHEMBL31240399 0.86 JAK2 (0.54) RIOK2ROCK2CDK2GSK3AMAPK10
SCHEMBL31240382 0.86 MAPK1 (0.52) ROCK1PRKACAROCK2CCNA2CDK2
SCHEMBL31240363 0.85 ROCK2 (0.52) ROCK1CYP3A4PRKACAROCK2CDK2
SCHEMBL31240386 0.85 CDK2 (0.52) ROCK1RIOK2CDK2WNT3A

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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