SCHEMBL31240758

SCHEMBL31240758

CCOC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1.COC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1.Nc1n[nH]c2ccc(-c3ccnc4[nH]c(C(=O)O)cc34)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.44
▸ BRAF P15056 1/20 0.43
▸ NUDT1 P36639 5/20 0.40
▸ MMP2 P08253 3/20 0.39
▸ MMP14 P50281 3/20 0.39
▸ CLK2 P49760 4/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ CLK3 P49761 3/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ GSK3A P49840 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
SCHEMBL26685885 0.94 MMP13 (0.49) MMP13BRAFNUDT1MMP2MMP14
SCHEMBL31240624 0.94 MMP13 (0.49) MMP13BRAFNUDT1MMP2MMP14
SCHEMBL26686152 0.90 NUDT1 (0.46) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL30633398 0.90 NUDT1 (0.46) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL30633395 0.89 MMP13 (0.45) MMP13BRAFNUDT1MMP2MMP14
SCHEMBL31240425 0.87 NUDT1 (0.48) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26686408 0.87 NUDT1 (0.48) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL30633340 0.83 NUDT1 (0.49) MMP13NUDT1DYRK1A
SCHEMBL31420159 0.79 NUDT1 (0.60) NUDT1CLK2DYRK1ACLK3JAK2
SCHEMBL26685791 0.79 NUDT1 (0.60) 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
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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