SCHEMBL31240463

SCHEMBL31240463

Cc1cccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.54
▸ PSEN2 P49810 1/20 0.54
▸ APH1B Q8WW43 1/20 0.54
▸ NCSTN Q92542 1/20 0.54
▸ APH1A Q96BI3 1/20 0.54
▸ PSENEN Q9NZ42 1/20 0.54
▸ KDR P35968 4/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ JAK2 O60674 3/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ WNT3A P56704 2/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ NTRK1 P04629 1/20 0.50

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) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31240714 0.89 WNT3A (0.55) KDRCDK2JAK2CDK1WNT3A
SCHEMBL31240493 0.89 WNT3A (0.57) CDK2JAK2CDK1WNT3ACDK4
SCHEMBL31240382 0.89 MAPK1 (0.52) CDK2CDK1WNT3ACDK4ROCK2
SCHEMBL31240399 0.89 JAK2 (0.54) KDRCDK2JAK2CDK1WNT3A
SCHEMBL31240402 0.88 ROCK1 (0.54) CDK2WNT3AROCK2PRKACAROCK1
SCHEMBL31240308 0.87 MAPK1 (0.49) KDRCDK2JAK2CDK1WNT3A
SCHEMBL31240538 0.86 DYRK1A (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31240509 0.85 JAK2 (0.56) CDK2JAK2CDK1WNT3ACDK4
SCHEMBL31240675 0.85 WNT3A (0.52) KDRCDK2JAK2CDK1WNT3A

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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