SCHEMBL31240426

SCHEMBL31240426

CCCOc1ccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.48
▸ CLK4 Q9HAZ1 5/20 0.48
▸ ROCK1 Q13464 4/20 0.48
▸ ROCK2 O75116 4/20 0.48
▸ MAP4K4 O95819 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ PLK4 O00444 3/20 0.48
▸ DAPK3 O43293 3/20 0.48
▸ DYRK3 O43781 3/20 0.48
▸ CDK1 P06493 3/20 0.48
▸ MARK3 P27448 3/20 0.48
▸ TYK2 P29597 3/20 0.48
▸ CLK2 P49760 3/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ CDK5 Q00535 3/20 0.48
▸ PRKCD Q05655 3/20 0.48
▸ DYRK1A Q13627 3/20 0.48
▸ PKN2 Q16513 3/20 0.48
▸ MARK2 Q7KZI7 3/20 0.48
▸ AURKB Q96GD4 3/20 0.48

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
SCHEMBL31240477 0.87 JAK2 (0.50) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240506 0.82 ABL1 (0.48) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240348 0.81 JAK2 (0.53) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240283 0.81 MAPK10 (0.63) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240396 0.81 JAK2 (0.53) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240314 0.81 JAK2 (0.68) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240265 0.81 JAK2 (0.61) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL26686310 0.78 JAK2 (0.55) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL26686356 0.77 JAK2 (0.57) JAK2CLK4ROCK1ROCK2MAP4K4
SCHEMBL31240598 0.77 JAK2 (0.51) JAK2CLK4ROCK1ROCK2MAP4K4

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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