SCHEMBL31240476

SCHEMBL31240476

Nc1n[nH]c2ccc(-c3ccnc(NCc4ccoc4)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.50
▸ CDK2 P24941 5/20 0.45
▸ CDC7 O00311 3/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ PDPK1 O15530 1/20 0.41
▸ CLK4 Q9HAZ1 7/20 0.41
▸ DYRK1A Q13627 5/20 0.41
▸ CLK2 P49760 4/20 0.41
▸ ROCK2 O75116 4/20 0.41
▸ MAP4K4 O95819 4/20 0.41
▸ AURKB Q96GD4 4/20 0.41
▸ PLK4 O00444 3/20 0.41
▸ DAPK3 O43293 3/20 0.41
▸ DYRK3 O43781 3/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ MARK3 P27448 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ CDK5 Q00535 3/20 0.41

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
SCHEMBL31240411 0.85 CDC7 (0.58) JAK2CDK2CDC7CCNE1DBF4
SCHEMBL26686356 0.81 JAK2 (0.57) JAK2CDK2CDC7PDPK1CLK4
SCHEMBL31240732 0.80 JAK2 (0.51) JAK2CDK2CDC7CCNE1DBF4
SCHEMBL31240395 0.80 LRRK2 (0.54) JAK2CDK2CDC7CCNE1DBF4
SCHEMBL31240408 0.80 MAPK14 (0.49) JAK2CDK2CDC7CCNE1DBF4
SCHEMBL31240378 0.80 JAK2 (0.51) JAK2CDK2CDC7CCNE1DBF4
SCHEMBL31240555 0.79 JAK2 (0.55) JAK2CDK2CDC7PDPK1CLK4
SCHEMBL26686310 0.79 JAK2 (0.55) JAK2CDK2CDC7PDPK1CLK4
SCHEMBL26685748 0.79 JAK2 (0.55) JAK2CDK2CDC7PDPK1CLK4
SCHEMBL31240273 0.78 JAK2 (0.47) JAK2CDK2CDC7CCNE1DBF4

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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