SCHEMBL3703604

SCHEMBL3703604

CCOC(=O)c1sc(-c2cc(Br)c3[nH]c(-c4cnccn4)cc3c2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.52
DBF4 Q9UBU7 11/20 0.52
LMNA P02545 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XDH P47989 2/20 0.39

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
SCHEMBL7890220 0.89 CDC7 (0.52) CDC7DBF4LMNATRPM8TP53
SCHEMBL3712062 0.88 XDH (0.50) CDC7DBF4LMNASMN1; SMN2KDM4E
SCHEMBL3704472 0.87 XDH (0.55) CDC7DBF4LMNATRPM8TP53
SCHEMBL3714429 0.83 LMNA (0.48) CDC7DBF4LMNATRPM8KDM4E
SCHEMBL3712656 0.78 CDC7 (0.50) CDC7DBF4LMNATRPM8SMN1; SMN2
SCHEMBL13178517 0.78 CDC7 (0.81) CDC7DBF4LMNATRPM8SMN1; SMN2
SCHEMBL3706676 0.78 CDC7 (0.48) CDC7DBF4LMNATRPM8SMN1; SMN2
SCHEMBL7886674 0.77 XDH (0.50) CDC7DBF4LMNASMN1; SMN2KDM4E
SCHEMBL3712683 0.77 CDC7 (0.48) CDC7DBF4LMNATRPM8SMN1; SMN2
SCHEMBL1984283 0.76 CDC7 (0.64) CDC7DBF4LMNATRPM8SMN1; SMN2

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
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
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