SCHEMBL31240368

SCHEMBL31240368

Nc1n[nH]c2ccc(-c3ccnc(NCCc4ccc(F)cc4)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.48
▸ MAPK14 Q16539 4/20 0.46
▸ MAPK13 O15264 2/20 0.46
▸ MAPK12 P53778 2/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ HTR7 P34969 1/20 0.43
▸ MAP4K4 O95819 5/20 0.42
▸ DYRK1A Q13627 3/20 0.42
▸ CDC7 O00311 2/20 0.42
▸ PLK4 O00444 2/20 0.42
▸ DAPK3 O43293 2/20 0.42
▸ DYRK3 O43781 2/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ RPS6KB1 P23443 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ MARK3 P27448 2/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ JAK3 P52333 2/20 0.42

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
SCHEMBL31240674 0.89 JAK2 (0.48) JAK2MAPK12MAP4K4DYRK1ACDC7
SCHEMBL31240447 0.89 JAK2 (0.48) JAK2MAPK12MAP4K4DYRK1ACDC7
SCHEMBL31240406 0.89 JAK2 (0.60) JAK2MAPK12MAP4K4DYRK1ACDC7
SCHEMBL31240716 0.89 JAK2 (0.54) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL31240275 0.86 LRRK2 (0.47) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL31240440 0.86 JAK2 (0.45) JAK2MAPK14MAPK12MAP4K4DYRK1A
SCHEMBL31240422 0.85 JAK2 (0.49) JAK2MAPK12MAP4K4DYRK1ACDC7
SCHEMBL31240513 0.83 PIM1 (0.50) JAK2DYRK1ACDC7CDK2CLK2
SCHEMBL31240512 0.83 JAK2 (0.52) JAK2MAPK14MAPK13MAPK12MAP4K4
SCHEMBL31240555 0.82 JAK2 (0.55) JAK2MAPK14MAPK12MAP4K4DYRK1A

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
Send feedback