SCHEMBL5312946

SCHEMBL5312946

O=C(O)NC1Cc2cccnc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
RIPK1 Q13546 7/20 0.41
CRBN Q96SW2 1/20 0.40
IDH1 O75874 6/20 0.39
GSK3B P49841 1/20 0.38
CALCRL Q16602 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23532179 0.86 CRBN (0.49) PYGLPYGMRIPK1CRBNIDH1
SCHEMBL29619167 0.82 EPHX2 (0.49) PYGLPYGMRIPK1CRBNIDH1
SCHEMBL8273799 0.82 EPHX2 (0.49) PYGLPYGMRIPK1CRBNIDH1
SCHEMBL21496629 0.78 RIPK1 (0.62) RIPK1
SCHEMBL21496628 0.78 RIPK1 (0.62) RIPK1
SCHEMBL5311229 0.78 RIPK1 (0.45) PYGLPYGMRIPK1CRBNGSK3B
SCHEMBL29900499 0.77 PYGL (0.64) PYGLPYGMRIPK1
SCHEMBL25329367 0.77 PYGL (0.64) PYGLPYGMRIPK1
SCHEMBL15541576 0.77 PYGL (0.64) PYGLPYGMRIPK1
SCHEMBL19866124 0.76 RIPK1 (0.64) RIPK1CRBNGSK3BCALCRL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 EP disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed