SCHEMBL31240587

SCHEMBL31240587

Nc1cccc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 11/20 0.56
▸ DYRK1A Q13627 11/20 0.56
▸ CLK3 P49761 9/20 0.56
▸ EGFR P00533 1/20 0.54
▸ PDPK1 O15530 1/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ JAK2 O60674 4/20 0.47
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ WNT1 P04628 2/20 0.45

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
SCHEMBL31240700 0.92 CLK2 (0.58) CLK2DYRK1ACLK3JAK2JAK1
SCHEMBL31240405 0.90 CLK2 (0.59) CLK2DYRK1ACLK3EGFRJAK2
SCHEMBL31240705 0.89 CLK2 (0.57) CLK2DYRK1ACLK3EGFRJAK2
SCHEMBL31240306 0.87 DYRK1A (0.71) CLK2DYRK1ACLK3WNT1
SCHEMBL31240326 0.86 TBK1 (0.58) CLK2DYRK1ACLK3CCNT1CDK9
SCHEMBL31240417 0.86 CCNB2 (0.53) CLK2DYRK1ACLK3
SCHEMBL31240492 0.86 DYRK1A (0.52) CLK2DYRK1ACLK3EGFRPDPK1
SCHEMBL31240495 0.86 CLK2 (0.53) CLK2DYRK1ACLK3EGFRCCNT1
SCHEMBL31240550 0.86 DYRK1A (0.51) CLK2DYRK1ACLK3EGFRPDPK1
SCHEMBL31240343 0.85 CLK2 (0.63) CLK2DYRK1ACLK3PDPK1JAK2

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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