SCHEMBL31240408

SCHEMBL31240408

CC(C)(C)c1ccc(CNc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.49
▸ JAK2 O60674 14/20 0.48
▸ JAK3 P52333 4/20 0.44
▸ CDK2 P24941 4/20 0.43
▸ CDC7 O00311 2/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ PLK4 O00444 3/20 0.42
▸ DAPK3 O43293 3/20 0.42
▸ DYRK3 O43781 3/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ MAP4K4 O95819 3/20 0.42
▸ CDK1 P06493 3/20 0.42
▸ MARK3 P27448 3/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ CLK2 P49760 3/20 0.42
▸ CDK5 Q00535 3/20 0.42
▸ PRKCD Q05655 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ DYRK1A Q13627 3/20 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
SCHEMBL31240273 0.92 JAK2 (0.47) MAPK14JAK2JAK3CDK2CDC7
SCHEMBL31240440 0.91 JAK2 (0.45) MAPK14JAK2JAK3CDK2CDC7
SCHEMBL31240732 0.89 JAK2 (0.51) MAPK14JAK2CDK2CDC7CCNE1
SCHEMBL31240411 0.85 CDC7 (0.58) MAPK14JAK2JAK3CDK2CDC7
SCHEMBL31240462 0.83 JAK2 (0.54) MAPK14JAK2JAK3CDK2CDC7
SCHEMBL31240395 0.83 LRRK2 (0.54) JAK2JAK3CDK2CDC7CCNE1
SCHEMBL31240597 0.83 JAK2 (0.44) MAPK14JAK2JAK3CDK2CDC7
SCHEMBL26686356 0.81 JAK2 (0.57) JAK2JAK3CDK2CDC7PLK4
SCHEMBL31240476 0.80 JAK2 (0.50) JAK2JAK3CDK2CDC7CCNE1
SCHEMBL12907189 0.79 JAK2 (0.66) JAK2JAK3CDK2CDC7PLK4

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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