SCHEMBL31240512

SCHEMBL31240512

Nc1n[nH]c2ccc(-c3ccnc(NCCCc4ccccc4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.52
▸ CDC7 O00311 7/20 0.48
▸ CDK2 P24941 6/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ DBF4 Q9UBU7 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ ROCK2 O75116 5/20 0.45
▸ PRKACA P17612 5/20 0.45
▸ GSK3B P49841 5/20 0.45
▸ AURKB Q96GD4 5/20 0.45
▸ MAP4K4 O95819 5/20 0.45
▸ HIPK2 Q9H2X6 4/20 0.45
▸ CLK4 Q9HAZ1 4/20 0.45
▸ MKNK2 Q9HBH9 4/20 0.45
▸ KDR P35968 3/20 0.45
▸ PIM1 P11309 3/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ IRAK4 Q9NWZ3 2/20 0.45
▸ JAK3 P52333 5/20 0.44
▸ MAPK13 O15264 4/20 0.44

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
SCHEMBL31240716 0.93 JAK2 (0.54) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240411 0.88 CDC7 (0.58) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240406 0.84 JAK2 (0.60) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL26686087 0.84 JAK2 (0.52) JAK2CDC7CDK2LRRK2ROCK2
SCHEMBL31420129 0.84 JAK2 (0.52) JAK2CDC7CDK2LRRK2ROCK2
SCHEMBL30633170 0.83 JAK2 (0.51) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL26886607 0.83 JAK2 (0.51) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240448 0.83 JAK2 (0.51) JAK2CDC7CDK2LRRK2ROCK2
SCHEMBL26686112 0.83 JAK2 (0.51) JAK2CDC7CDK2LRRK2ROCK2
SCHEMBL31240513 0.83 PIM1 (0.50) JAK2CDC7CDK2CCNE1DBF4

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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