SCHEMBL31240447

SCHEMBL31240447

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.48
▸ LRRK2 Q5S007 1/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ MAP4K4 O95819 4/20 0.41
▸ CDK2 P24941 3/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ DYRK3 O43781 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ PRKCD Q05655 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ PKN2 Q16513 2/20 0.40
▸ MARK2 Q7KZI7 2/20 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
SCHEMBL31240368 0.89 JAK2 (0.48) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL31240674 0.89 JAK2 (0.48) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL31240716 0.89 JAK2 (0.54) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240406 0.89 JAK2 (0.60) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL31240428 0.89 JAK2 (0.57) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240440 0.86 JAK2 (0.45) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL31240275 0.86 LRRK2 (0.47) JAK2LRRK2MAP4K4ROCK2ROCK1
SCHEMBL31240422 0.85 JAK2 (0.49) JAK2TYK2JAK3MAP4K4CDK2
SCHEMBL31240512 0.83 JAK2 (0.52) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240555 0.82 JAK2 (0.55) JAK2LRRK2TYK2JAK3MAP4K4

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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