SCHEMBL31420159

SCHEMBL31420159

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 6/20 0.60
▸ CCNK O75909 1/20 0.48
▸ CDK12 Q9NYV4 1/20 0.48
▸ CLK2 P49760 5/20 0.47
▸ DYRK1A Q13627 5/20 0.47
▸ CLK3 P49761 3/20 0.47
▸ JAK2 O60674 8/20 0.45
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL26685791 1.00 NUDT1 (0.60) NUDT1CCNKCDK12CLK2DYRK1A
SCHEMBL26686408 0.91 NUDT1 (0.48) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31240425 0.91 NUDT1 (0.48) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26686152 0.88 NUDT1 (0.46) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL30633398 0.88 NUDT1 (0.46) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26685908 0.85 NUDT1 (0.49) NUDT1CCNKCDK12CLK2DYRK1A
SCHEMBL31240736 0.85 NUDT1 (0.49) NUDT1CCNKCDK12CLK2DYRK1A
SCHEMBL31240624 0.84 MMP13 (0.49) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL31420127 0.84 TBK1 (0.53) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26685751 0.84 TBK1 (0.53) NUDT1CLK2DYRK1ACLK3JAK2

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 2 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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
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