SCHEMBL31240265

SCHEMBL31240265

Nc1n[nH]c2ccc(-c3ccnc(Nc4ccccc4)c3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.61
▸ LRRK2 Q5S007 1/20 0.59
▸ ROCK1 Q13464 3/20 0.51
▸ AURKB Q96GD4 3/20 0.51
▸ PDPK1 O15530 2/20 0.51
▸ AURKA O14965 1/20 0.51
▸ TGFBR1 P36897 1/20 0.51
▸ TYK2 P29597 3/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ MAPKAPK2 P49137 1/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ DYRK3 O43781 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ MAP4K4 O95819 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ MARK3 P27448 2/20 0.47
▸ CLK2 P49760 2/20 0.47

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
SCHEMBL31240314 0.90 JAK2 (0.68) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240461 0.89 JAK2 (0.52) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240466 0.88 JAK2 (0.54) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240330 0.88 JAK2 (0.50) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240348 0.88 JAK2 (0.53) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240283 0.88 MAPK10 (0.63) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240396 0.88 JAK2 (0.53) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240400 0.87 JAK2 (0.57) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240424 0.87 JAK2 (0.50) JAK2LRRK2ROCK1AURKBPDPK1
SCHEMBL31240573 0.86 JAK2 (0.57) JAK2LRRK2ROCK1AURKBPDPK1

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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