SCHEMBL31240716

SCHEMBL31240716

Nc1n[nH]c2ccc(-c3ccnc(NCCc4ccccc4)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.54
▸ CDC7 O00311 7/20 0.50
▸ CDK2 P24941 6/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ DBF4 Q9UBU7 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.48
▸ ROCK2 O75116 5/20 0.47
▸ PRKACA P17612 5/20 0.47
▸ GSK3B P49841 5/20 0.47
▸ AURKB Q96GD4 5/20 0.47
▸ MKNK2 Q9HBH9 5/20 0.47
▸ MAP4K4 O95819 5/20 0.47
▸ HIPK2 Q9H2X6 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ KDR P35968 3/20 0.47
▸ PIM1 P11309 3/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ MAPK13 O15264 5/20 0.46
▸ MAPK12 P53778 5/20 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
SCHEMBL31240512 0.93 JAK2 (0.52) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240406 0.91 JAK2 (0.60) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240411 0.90 CDC7 (0.58) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240513 0.89 PIM1 (0.50) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240674 0.89 JAK2 (0.48) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240447 0.89 JAK2 (0.48) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240368 0.89 JAK2 (0.48) JAK2CDC7CDK2LRRK2ROCK2
SCHEMBL31240428 0.88 JAK2 (0.57) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240309 0.87 CYP1A2 (0.50) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240275 0.86 LRRK2 (0.47) JAK2LRRK2ROCK2MKNK2MAP4K4

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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