SCHEMBL31240439

SCHEMBL31240439

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccnc(N6CCS(=O)(=O)CC6)c5)cc34)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.44
▸ CLK2 P49760 9/20 0.44
▸ CLK3 P49761 8/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ MAP4K1 Q92918 1/20 0.41
▸ TBK1 Q9UHD2 2/20 0.40
▸ JAK2 O60674 3/20 0.39
▸ WNT1 P04628 2/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38

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
SCHEMBL31240473 0.89 DYRK1A (0.51) DYRK1ACLK2CLK3LRRK2MAP4K1
SCHEMBL31240351 0.88 DYRK1A (0.46) DYRK1ACLK2CLK3MAP4K1TBK1
SCHEMBL31240533 0.87 TBK1 (0.54) LRRK2TBK1
SCHEMBL31240553 0.85 CLK2 (0.43) DYRK1ACLK2CLK3LRRK2MAP4K1
SCHEMBL31240700 0.82 CLK2 (0.58) DYRK1ACLK2CLK3TBK1JAK2
SCHEMBL31240628 0.80 CLK2 (0.55) DYRK1ACLK2CLK3MAP4K1TBK1
SCHEMBL31240485 0.80 TBK1 (0.54) LRRK2TBK1JAK2
SCHEMBL31240343 0.78 CLK2 (0.63) DYRK1ACLK2CLK3JAK2WNT1
SCHEMBL31240586 0.78 CLK2 (0.52) DYRK1ACLK2CLK3JAK2WNT1
SCHEMBL31240405 0.76 CLK2 (0.59) DYRK1ACLK2CLK3JAK2

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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