SCHEMBL31240736

SCHEMBL31240736

NCCNC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 5/20 0.49
▸ DYRK1A Q13627 5/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ CCNK O75909 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ IKBKB O14920 2/20 0.42
▸ CHUK O15111 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ WNT1 P04628 4/20 0.41
▸ ABL1 P00519 4/20 0.40
▸ BCR P11274 4/20 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
SCHEMBL26685908 1.00 NUDT1 (0.49) NUDT1DYRK1ACLK2CLK3CCNK
SCHEMBL31240633 0.90 CCNK (0.54) NUDT1DYRK1ACLK2CLK3CCNK
SCHEMBL26686484 0.90 CCNK (0.54) NUDT1DYRK1ACLK2CLK3CCNK
SCHEMBL26685806 0.89 NUDT1 (0.48) NUDT1DYRK1ACLK2CLK3CCNK
SCHEMBL26686576 0.89 CCNK (0.55) NUDT1DYRK1ACCNKCDK12CHUK
SCHEMBL30633338 0.89 NUDT1 (0.48) NUDT1DYRK1ACLK2CLK3CCNK
SCHEMBL30633128 0.89 CCNK (0.55) NUDT1DYRK1ACCNKCDK12CHUK
SCHEMBL26686625 0.89 MAPK1 (0.52) NUDT1DYRK1ACLK2CLK3JAK2
SCHEMBL31240472 0.89 MAPK1 (0.52) NUDT1DYRK1ACLK2CLK3JAK2
SCHEMBL30633157 0.88 CHUK (0.56) NUDT1DYRK1ACCNKCDK12CHUK

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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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