SCHEMBL7670286

SCHEMBL7670286

ONc1nc(F)nc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.46
XDH P47989 1/20 0.44
BRAF P15056 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
GDA Q9Y2T3 1/20 0.39
PNP P00491 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 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
SCHEMBL16147520 0.82 XDH (0.65) TNNI3KXDHBRAFMKNK1DPP4
SCHEMBL5694222 0.80 GDA (0.55) TNNI3KXDHBRAFGDA
SCHEMBL29959506 0.80 XDH (0.45) XDHBRAFHDAC1HDAC2
SCHEMBL1029880 0.80 XDH (0.45) XDHBRAFDPP4ALDH1A1HDAC1
SCHEMBL7672747 0.80 XDH (0.45) XDHBRAFHDAC1HDAC2
SCHEMBL28878261 0.79 XDH (0.47) XDHBRAFGDAPIK3CD
SCHEMBL28726405 0.79 XDH (0.70) TNNI3KXDHBRAFDPP4
SCHEMBL2938906 0.79 PDPK1 (0.59) BRAFDPP4HDAC1HDAC2GDA
SCHEMBL29672206 0.79 PDPK1 (0.59) BRAFDPP4HDAC1HDAC2GDA
SCHEMBL28004888 0.78 ADORA3 (0.52) TNNI3KXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369237-B1 ENZYME INHIBITORS OF DNA GLYCOLASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US claimed
WO-1998039334-A9 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO 1999-02-18 WO claimed
WO-1998039334-A1 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-09-11 WO claimed
US-6369237-B1 ENZYME INHIBITORS OF DNA GLYCOLASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US disclosed
EP-0270651-B1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INST OF TECHN (US) 1994-06-15 EP disclosed
EP-0270651-A4 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1989-03-29 EP disclosed
EP-0270651-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1988-06-15 EP disclosed
WO-1988000201-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY, INC. (US) 1988-01-14 WO disclosed