SCHEMBL31240399

SCHEMBL31240399

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.54
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ JAK1 P23458 1/20 0.48
▸ GSK3A P49840 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ RIOK2 Q9BVS4 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ KDR P35968 2/20 0.44
▸ ANO1 Q5XXA6 1/20 0.44
▸ NPY5R Q15761 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1C Q13936 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) JAK2CDK1CDK2RIOK2MAPK1
SCHEMBL31240349 0.89 WNT3A (0.50) JAK2CDK1CDK4CDK2GSK3A
SCHEMBL31240493 0.89 WNT3A (0.57) JAK2CDK1CDK4CDK2RIOK2
SCHEMBL31240382 0.89 MAPK1 (0.52) CDK1CDK4CDK2MAPK1WNT3A
SCHEMBL31240463 0.89 PSEN1 (0.54) JAK2CDK1CDK4CDK2GSK3A
SCHEMBL31240538 0.86 DYRK1A (0.52) RIOK2WNT3AKDRANO1MKNK2
SCHEMBL31240402 0.86 ROCK1 (0.54) CDK2GSK3AMAPK10RIOK2WNT3A
SCHEMBL31240563 0.85 DYRK1A (0.51) JAK2WNT3ACLK2
SCHEMBL31240509 0.85 JAK2 (0.56) JAK2CDK1CDK4CDK2WNT3A
SCHEMBL31240675 0.85 WNT3A (0.52) JAK2CDK1CDK4CDK2RIOK2

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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