SCHEMBL31240440

SCHEMBL31240440

CC(C)(C)c1ccc(CCNc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.45
▸ LRRK2 Q5S007 1/20 0.42
▸ JAK3 P52333 4/20 0.42
▸ MAP4K4 O95819 5/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ PLK4 O00444 3/20 0.40
▸ DAPK3 O43293 3/20 0.40
▸ DYRK3 O43781 3/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ MARK3 P27448 3/20 0.40
▸ TYK2 P29597 3/20 0.40
▸ CLK2 P49760 3/20 0.40
▸ CDK5 Q00535 3/20 0.40
▸ PRKCD Q05655 3/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ PKN2 Q16513 3/20 0.40
▸ MARK2 Q7KZI7 3/20 0.40

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
SCHEMBL31240408 0.91 MAPK14 (0.49) JAK2LRRK2JAK3MAP4K4MAPK14
SCHEMBL31240447 0.86 JAK2 (0.48) JAK2LRRK2JAK3MAP4K4PLK4
SCHEMBL31240368 0.86 JAK2 (0.48) JAK2LRRK2JAK3MAP4K4MAPK14
SCHEMBL31240674 0.86 JAK2 (0.48) JAK2LRRK2JAK3MAP4K4PLK4
SCHEMBL31240716 0.86 JAK2 (0.54) JAK2LRRK2JAK3MAP4K4MAPK14
SCHEMBL31240406 0.86 JAK2 (0.60) JAK2LRRK2JAK3MAP4K4PLK4
SCHEMBL31240275 0.86 LRRK2 (0.47) JAK2LRRK2MAP4K4MAPK14ROCK2
SCHEMBL31240422 0.83 JAK2 (0.49) JAK2JAK3MAP4K4PLK4DAPK3
SCHEMBL31240273 0.82 JAK2 (0.47) JAK2LRRK2JAK3MAP4K4MAPK14
SCHEMBL26686310 0.81 JAK2 (0.55) JAK2LRRK2JAK3MAP4K4PLK4

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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