SCHEMBL1740464

SCHEMBL1740464

Nc1nc2c(ncn2C(=O)N(c2ccccc2)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.57
PNP P00491 6/20 0.54
TK1 P04183 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL27541246 0.82 XDH (0.58) XDHPNPTK1USP2TSHR
SCHEMBL5694190 0.82 XDH (0.60) XDHPNPTK1USP2TSHR
SCHEMBL27923065 0.80 XDH (0.55) XDHPNPTK1USP2TSHR
SCHEMBL4655346 0.79 PNP (0.62) XDHPNPTK1USP2TSHR
SCHEMBL22319175 0.78 KDM4E (0.42) TK1TSHR
SCHEMBL4446276 0.78 XDH (0.54) XDHPNPTK1USP2TSHR
SCHEMBL5694098 0.77 XDH (0.54) XDHPNPTK1USP2TSHR
SCHEMBL218668 0.77 XDH (0.53) XDHPNPTK1USP2TSHR
SCHEMBL704009 0.76 XDH (0.50) XDHPNPTK1USP2TSHR
SCHEMBL5860317 0.76 PNP (0.59) XDHPNPTK1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
US-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 US disclosed
EP-1539188-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2002057425-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2002-07-25 WO disclosed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP disclosed
EP-0421739-A1 3'-azido purine nucleoside THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed