SCHEMBL2990348

SCHEMBL2990348

CC(C)[C@H](N)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.68
DNPH1 O43598 8/20 0.65
P2RY1 P47900 5/20 0.65
P2RY2 P41231 4/20 0.65
TAS1R3 Q7RTX0 2/20 0.65
TAS1R1 Q7RTX1 2/20 0.65
SRC P12931 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PRKAB2 O43741 1/20 0.65
TRPM2 O94759 1/20 0.65
LDHA P00338 1/20 0.65
ADRB2 P07550 1/20 0.65
FBP1 P09467 1/20 0.65
ADORA1 P30542 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PDE3A Q14432 1/20 0.65

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
SCHEMBL2988353 0.95 P2RY12 (0.68) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL8916648 0.93 P2RY12 (0.70) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL8352507 0.93 P2RY12 (0.65) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL18274661 0.92 P2RY12 (0.71) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL2990779 0.90 P2RY12 (0.66) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL5545796 0.89 P2RY12 (0.69) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL3193571 0.88 P2RY12 (0.68) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL1933421 0.88 P2RY12 (0.67) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL4997219 0.88 P2RY12 (0.69) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL6900642 0.87 P2RY12 (0.75) P2RY12DNPH1P2RY1P2RY2TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708639-B2 Method for quantifying amino acids with pyrophosphate TOYAMA PREFECTURE (JP) 2017-07-18 US disclosed
US-20140357524-A1 Method for Quantifying Subject Substance AJINOMOTO CO., INC. (JP) 2014-12-04 US disclosed
WO-2013118894-A1 METHOD FOR QUANTIFYING TARGET SUBSTANCE 富山県 (JP) 2013-08-15 WO disclosed
US-8183006-B2 Screening method for identifying new aminoacyl-tRNA synthetase inhibitors FUNDACIO PRIVADA PARC CIENTIFIC DE BARCELONA (ES) 2012-05-22 US disclosed
US-7785827-B2 Method and composition for leucyl-tRNA synthetases and derivatives thereof that activate and aminoacylate non-leucine amino acid to tRNA adaptor molecules UNIVERSITY OF HOUSTON SYSTEM (US) 2010-08-31 US disclosed
EP-2064338-B1 A SCREENING METHOD FOR IDENTIFYING NEW AMINOACYL-TRNA SYNTHETASE INHIBITORS ICREA (ES) 2010-04-07 EP disclosed
US-20100055719-A1 Screening method for identifying new aminoacyl-tRNA synthetase inhibitors FUNDACIO PRIVADA PARC CIENTIFIC DE BARCELONA (ES) 2010-03-04 US disclosed
EP-2064338-A1 A SCREENING METHOD FOR IDENTIFYING NEW AMINOACYL-TRNA SYNTHETASE INHIBITORS Institució Catalana de Recerca i Estudis Avançats (ES) 2009-06-03 EP disclosed
WO-2008028862-A1 A SCREENING METHOD FOR IDENTIFYING NEW AMINOACYL-TRNA SYNTHETASE INHIBITORS INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS (ICREA) (ES) 2008-03-13 WO disclosed
US-20040203094-A1 Eucyl-tRNA synthetases and derivatives thereof that activate and aminoacylate non-leucine amino acids to tRNA adaptor molecules BOARD OF REGENTS, UNIVERSITY OF HOUSTON 2004-10-14 US disclosed
US-6631329-B1 Complexed with mupirocin and tRNAile; streak-seedingm vapor equilibrating; replacing with cryoprotectant; flash-freezing YALE UNIVERSITY 2003-10-07 US disclosed
EP-1200564-A2 USE OF THE CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS ISOLEUCYL-tRNA SYNTHETASE IN ANTIBIOTIC DESIGN YALE UNIVERSITY (US) 2002-05-02 EP disclosed
WO-2001009154-A2 USE OF THE CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS ISOLEUCYL-tRNA SYNTHETASE IN ANTIBIOTIC DESIGN YALE UNIVERSITY (US) 2001-02-08 WO disclosed
WO-1994028139-A1 tRNA BINDING-DEPENDENT INHIBITION OF MICROBIAL PATHOGEN GROWTH MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-12-08 WO disclosed