SCHEMBL31240309

SCHEMBL31240309

Nc1n[nH]c2ccc(-c3ccnc(NCCc4ccccn4)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ JAK2 O60674 8/20 0.49
▸ LRRK2 Q5S007 1/20 0.47
▸ TYK2 P29597 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAP4K4 O95819 4/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CDC7 O00311 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ PIM1 P11309 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ KDR P35968 1/20 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
SCHEMBL31240378 0.89 JAK2 (0.51) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240716 0.87 JAK2 (0.54) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240512 0.83 JAK2 (0.52) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240406 0.82 JAK2 (0.60) JAK2LRRK2TYK2JAK3MAPK1
SCHEMBL31240555 0.82 JAK2 (0.55) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL26685748 0.82 JAK2 (0.55) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL26686310 0.82 JAK2 (0.55) JAK2LRRK2TYK2JAK3MAP4K4
SCHEMBL31240411 0.81 CDC7 (0.58) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240692 0.80 LRRK2 (0.54) JAK2LRRK2TYK2JAK3JAK1
SCHEMBL31240674 0.80 JAK2 (0.48) JAK2LRRK2TYK2JAK3MAPK1

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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