SCHEMBL31240740

SCHEMBL31240740

CC(C)c1cccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.47
▸ LRRK2 Q5S007 1/20 0.46
▸ ROCK1 Q13464 6/20 0.46
▸ ROCK2 O75116 5/20 0.46
▸ CLK4 Q9HAZ1 4/20 0.46
▸ KDR P35968 3/20 0.46
▸ PLK4 O00444 3/20 0.46
▸ DAPK3 O43293 3/20 0.46
▸ DYRK3 O43781 3/20 0.46
▸ MAP4K4 O95819 3/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ MARK3 P27448 3/20 0.46
▸ TYK2 P29597 3/20 0.46
▸ CLK2 P49760 3/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ CDK5 Q00535 3/20 0.46
▸ PRKCD Q05655 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ PKN2 Q16513 3/20 0.46

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
SCHEMBL26686005 0.88 KDR (0.58) JAK2ROCK1ROCK2CLK4KDR
SCHEMBL30633397 0.88 KDR (0.58) JAK2ROCK1ROCK2CLK4KDR
SCHEMBL31240461 0.85 JAK2 (0.52) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240265 0.84 JAK2 (0.61) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240424 0.84 JAK2 (0.50) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240518 0.81 PIK3C3 (0.48) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240361 0.81 JAK2 (0.47) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240466 0.80 JAK2 (0.54) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240598 0.80 JAK2 (0.51) JAK2LRRK2ROCK1ROCK2CLK4
SCHEMBL31240431 0.80 NPC1 (0.48) JAK2LRRK2ROCK1ROCK2CLK4

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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