SCHEMBL31240445

SCHEMBL31240445

Nc1cccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.47
▸ ULK1 O75385 1/20 0.46
▸ ROCK1 Q13464 2/20 0.45
▸ JAK2 O60674 6/20 0.44
▸ F11 P03951 1/20 0.44
▸ TTK P33981 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ WNT1 P04628 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL31240493 0.91 WNT3A (0.57) WNT3AJAK2F11TTKMEN1
SCHEMBL31240382 0.90 MAPK1 (0.52) WNT3AROCK1DYRK1AROCK2CDK1
SCHEMBL31240463 0.90 PSEN1 (0.54) WNT3AROCK1JAK2MEN1RAB9A
SCHEMBL31240399 0.90 JAK2 (0.54) WNT3AJAK2F11PLK4AURKA
SCHEMBL31240675 0.89 WNT3A (0.52) WNT3AROCK1JAK2MEN1RAB9A
SCHEMBL31240402 0.88 ROCK1 (0.54) WNT3AROCK1ROCK2PRKACACDK2
SCHEMBL31240538 0.88 DYRK1A (0.52) WNT3AMEN1KMT2APSEN1PSEN2
SCHEMBL31240563 0.87 DYRK1A (0.51) WNT3AJAK2DYRK1AWNT1
SCHEMBL31240386 0.87 CDK2 (0.52) WNT3AROCK1JAK2F11TTK
SCHEMBL31240509 0.87 JAK2 (0.56) WNT3AJAK2TTKMEN1RAB9A

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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