SCHEMBL31240351

SCHEMBL31240351

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccnc(N6CCNCC6)c5)cc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.46
▸ CLK2 P49760 6/20 0.46
▸ CDC7 O00311 2/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CLK3 P49761 5/20 0.45
▸ TBK1 Q9UHD2 4/20 0.44
▸ TLR9 Q9NR96 2/20 0.43
▸ TLR8 Q9NR97 2/20 0.43
▸ TLR7 Q9NYK1 2/20 0.43
▸ MAP4K1 Q92918 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ NTRK1 P04629 2/20 0.41
▸ ATR Q13535 1/20 0.40

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 0.91 DYRK1A (0.51) DYRK1ACLK2CLK3TBK1MAP4K1
SCHEMBL31240533 0.90 TBK1 (0.54) TBK1
SCHEMBL31240439 0.88 DYRK1A (0.44) DYRK1ACLK2CDK9CLK3TBK1
SCHEMBL31240553 0.87 CLK2 (0.43) DYRK1ACLK2CLK3TBK1MAP4K1
SCHEMBL31240700 0.85 CLK2 (0.58) DYRK1ACLK2CLK3TBK1JAK2
SCHEMBL31240485 0.82 TBK1 (0.54) TBK1JAK2
SCHEMBL31240343 0.81 CLK2 (0.63) DYRK1ACLK2CLK3JAK2
SCHEMBL31240628 0.80 CLK2 (0.55) DYRK1ACLK2CLK3TBK1TLR9
SCHEMBL31240589 0.80 TBK1 (0.60) DYRK1ACLK2CLK3TBK1
SCHEMBL31240586 0.80 CLK2 (0.52) 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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