SCHEMBL31240404

SCHEMBL31240404

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Cc4ccc(C(F)(F)F)cc4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ DYRK1A Q13627 4/20 0.50
▸ WNT3A P56704 1/20 0.48
▸ RIOK2 Q9BVS4 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ JAK2 O60674 3/20 0.46
▸ NR3C2 P08235 1/20 0.45
▸ CDC7 O00311 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 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
SCHEMBL31240538 0.90 DYRK1A (0.52) DYRK1AWNT3ARIOK2NR3C2CYP2D6
SCHEMBL31240240 0.89 MAPK14 (0.55) MAPK14GSK3BWNT3AJAK2CDK1
SCHEMBL31240675 0.89 WNT3A (0.52) MAPK14WNT3ARIOK2JAK2CDK1
SCHEMBL31240509 0.89 JAK2 (0.56) MAPK14GSK3BDYRK1AWNT3AJAK2
SCHEMBL31240714 0.87 WNT3A (0.55) MAPK14WNT3ARIOK2JAK2CDK1
SCHEMBL31240349 0.87 WNT3A (0.50) MAPK14WNT3ARIOK2MAPK1JAK2
SCHEMBL31240493 0.87 WNT3A (0.57) MAPK14GSK3BDYRK1AWNT3ARIOK2
SCHEMBL31240322 0.85 MAPK10 (0.58) WNT3ARIOK2NR3C2CDK2
SCHEMBL31240457 0.85 WNT3A (0.50) MAPK14GSK3BWNT3ARIOK2JAK2
SCHEMBL31240732 0.84 JAK2 (0.51) MAPK14DYRK1AMAPK1JAK2CDC7

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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