SCHEMBL31240382

SCHEMBL31240382

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ CDK2 P24941 2/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ WNT3A P56704 4/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ MAPK14 Q16539 5/20 0.45
▸ DYRK1A Q13627 2/20 0.44
▸ ANO1 Q5XXA6 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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 0.90 WNT3A (0.47) MAPK1CDK2CDK1WNT3AMAPK14
SCHEMBL31240240 0.89 MAPK14 (0.55) CDK2CDK1CDK4WNT3AMAPK14
SCHEMBL31240493 0.89 WNT3A (0.57) CDK2CDK1CDK4WNT3AMAPK14
SCHEMBL31240463 0.89 PSEN1 (0.54) CDK2CDK1CDK4WNT3ANR3C2
SCHEMBL31240399 0.89 JAK2 (0.54) MAPK1CDK2CDK1CDK4WNT3A
SCHEMBL31240538 0.88 DYRK1A (0.52) WNT3ANR3C2DYRK1AANO1ROCK2
SCHEMBL31240402 0.86 ROCK1 (0.54) CDK2WNT3ANR3C2CCNA2CCNA1
SCHEMBL31240563 0.85 DYRK1A (0.51) WNT3ADYRK1ACLK2CLK3GSK3B
SCHEMBL31240509 0.85 JAK2 (0.56) CDK2CDK1CDK4WNT3AMAPK14
SCHEMBL31240675 0.85 WNT3A (0.52) CDK2CDK1CDK4WNT3AMAPK14

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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