SCHEMBL3711238

SCHEMBL3711238

CCOC(=O)c1sc(-c2ccc3c(c2)c([N+](=O)[O-])cn3C(C)C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
XDH P47989 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
PTPN11 Q06124 1/20 0.41
TRPM8 Q7Z2W7 5/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL3715772 0.94 XDH (0.49) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3715639 0.88 CDC7 (0.50) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3710951 0.88 XDH (0.56) XDHKDM4EALDH1A1THRATHRB
SCHEMBL3706727 0.88 CDC7 (0.46) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3708174 0.87 CDC7 (0.49) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3712738 0.85 CDC7 (0.45) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3713956 0.85 CDC7 (0.51) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3705195 0.84 CDC7 (0.46) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3708038 0.84 CDC7 (0.48) CDC7DBF4ALDH1A1LMNATHRA
SCHEMBL3707161 0.83 CDC7 (0.49) CDC7DBF4XDHKDM4EALDH1A1

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
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
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed