SCHEMBL3704111

SCHEMBL3704111

CCOC(=O)c1cnc(-c2ccc3c(c2)c(C#N)cn3C(C)C)s1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.52
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49

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
SCHEMBL3702922 0.93 XDH (0.54) XDHCDC7DBF4
SCHEMBL3707670 0.88 CDC7 (0.52) XDHCDC7DBF4
SCHEMBL3704109 0.87 XDH (0.55) XDHCDC7DBF4
SCHEMBL3707802 0.87 CDC7 (0.51) XDHCDC7DBF4
SCHEMBL3703462 0.86 XDH (0.55) XDH
SCHEMBL7895901 0.86 CDC7 (0.52) XDHCDC7DBF4
SCHEMBL3707163 0.86 CDC7 (0.52) XDHCDC7DBF4
SCHEMBL3707314 0.84 XDH (0.49) XDHCDC7DBF4
SCHEMBL3708183 0.83 XDH (0.67) XDHCDC7DBF4
SCHEMBL3708038 0.83 CDC7 (0.48) CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed