SCHEMBL31240376

SCHEMBL31240376

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccccn5)cc34)cc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 10/20 0.62
▸ DYRK1A Q13627 10/20 0.62
▸ CLK3 P49761 8/20 0.62
▸ WNT1 P04628 4/20 0.48
▸ JAK2 O60674 5/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 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
SCHEMBL31240405 0.87 CLK2 (0.59) CLK2DYRK1ACLK3JAK2JAK1
SCHEMBL31240700 0.87 CLK2 (0.58) CLK2DYRK1ACLK3JAK2JAK1
SCHEMBL31240486 0.83 CLK2 (0.55) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240343 0.83 CLK2 (0.63) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240683 0.83 DYRK1A (0.54) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240587 0.82 CLK2 (0.56) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240306 0.82 DYRK1A (0.71) CLK2DYRK1ACLK3WNT1
SCHEMBL18441956 0.81 CLK2 (0.75) CLK2DYRK1ACLK3WNT1
SCHEMBL31240498 0.81 CLK2 (0.52) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240523 0.81 CLK2 (0.67) CLK2DYRK1ACLK3WNT1JAK2

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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