SCHEMBL1825531

SCHEMBL1825531

Nc1nc(N)c2ncn(-n3cnc4c(=O)[nH]c(N)nc43)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.51
PNP P00491 3/20 0.48
TK1 P04183 2/20 0.48
BLM P54132 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
HTR2A P28223 1/20 0.47
RECQL P46063 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL986800 0.89 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL15005119 0.88 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL556881 0.86 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL6755679 0.86 XDH (0.41) XDHPNPTK1BLMUSP2
SCHEMBL1831279 0.84 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL27983442 0.82 CDK1 (0.59) CDK1CCNB1CCNE1CDK2
SCHEMBL26102379 0.79 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL72147 0.78 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL4621403 0.77 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL4857246 0.77 XDH (0.46) XDHPNPTK1BLMUSP2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688778-A VIRICIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-11-18 US claimed
EP-0968223-B1 BIOCONJUGATION OF MACROMOLECULES SIGMA ALDRICH CO LLC (US) 2016-12-21 EP disclosed
EP-2256133-B1 Bioconjugation of macromolecules SIGMA ALDRICH CO LLC (US) 2016-12-14 EP disclosed
EP-2319854-B1 Bioconjugation Of Macromolecules SIGMA ALDRICH CO LLC (US) 2016-11-30 EP disclosed
EP-2319855-B1 Bioconjugation of Macromolecules SIGMA ALDRICH CO LLC (US) 2016-04-06 EP disclosed
EP-2319854-A1 Bioconjugation Of Macromolecules Sigma-Aldrich Co. (US) 2011-05-11 EP disclosed
EP-2319855-A1 Bioconjugation of Macromolecules Sigma-Aldrich Co. (US) 2011-05-11 EP disclosed
EP-2256133-A1 Bioconjugation of macromolecules Sigma-Aldrich Co. (US) 2010-12-01 EP disclosed
US-20040116685-A1 Method for solution phase synthesis of oligonucleotides PROLIGO LLC 2004-06-17 US disclosed
US-6737236-B1 DERIVATIZING OLIGONUCLEOTIDES AND PROTEINS USING CYCLOADDITION REACTIONS INCLUDING DIELS-ALDER REACTION OR 1,3-DIPOLAR CYCLOADDITION REACTIONS PROLIGO, LLC 2004-05-18 US disclosed
EP-0979233-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES NeXstar Pharmaceuticals, Inc. (US) 2000-02-16 EP disclosed
EP-0968223-A1 BIOCONJUGATION OF MACROMOLECULES Proligo L.L.C. (US) 2000-01-05 EP disclosed
US-6001966-A REACTING N-TERMINAL PROTECTED AMINO ACID WITH PEPTIDE STARTING MATERIAL FORMING A PEPTIDE PRODUCT, PARTITIONING FROM UNREACTED MATERIAL AND REAGENTS BASED ON PRESENCE OF N-TERMINAL BLOCKING/ANCHORING GROUP PROLIGO LLC (US) 1999-12-14 US disclosed
US-5874532-A USING A N-TERMINAL PROTECTED AMINO ACID MONOMER NEXSTAR PHARMACEUTICALS, INC. (US) 1999-02-23 US disclosed
EP-0767657-A4 NOVEL METHOD OF PREPARATION OF KNOWN AND NOVEL 2'-MODIFIED NUCLEOSIDES BY INTRAMOLECULAR NUCLEOPHILIC DISPLACEMENT NEXSTAR PHARMACEUTICALS INC (US) 1999-01-20 EP disclosed
WO-1998047910-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES PROLIGO LLC (US) 1998-10-29 WO disclosed
WO-1998030575-A1 BIOCONJUGATION OF MACROMOLECULES PROLIGO LLC (US) 1998-07-16 WO disclosed
WO-1998030578-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES AND PEPTIDES PROLIGO LLC (US) 1998-07-16 WO disclosed
EP-0767657-A1 NOVEL METHOD OF PREPARATION OF KNOWN AND NOVEL 2'-MODIFIED NUCLEOSIDES BY INTRAMOLECULAR NUCLEOPHILIC DISPLACEMENT NeXstar Pharmaceuticals, Inc. (US) 1997-04-16 EP disclosed
WO-1995035102-A1 NOVEL METHOD OF PREPARATION OF KNOWN AND NOVEL 2'-MODIFIED NUCLEOSIDES BY INTRAMOLECULAR NUCLEOPHILIC DISPLACEMENT NEXSTAR PHARMACEUTICALS, INC. (US) 1995-12-28 WO disclosed