SCHEMBL3243022

SCHEMBL3243022

C=C(CN)c1c[nH]c(=O)c([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 18/20 0.45
P2RY4 P51582 5/20 0.45
P2RY6 Q15077 1/20 0.42
P2RX3 P56373 2/20 0.40

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
SCHEMBL3238072 0.83 P2RY2 (0.49) P2RY2P2RY4P2RY6P2RX3
SCHEMBL1998514 0.81 P2RY2 (0.44) P2RY2P2RY4P2RY6P2RX3
SCHEMBL3238028 0.81 P2RY2 (0.44) P2RY2P2RY4P2RY6P2RX3
SCHEMBL3231325 0.79 SLC5A2 (0.38)
SCHEMBL18870831 0.77 P2RY2 (0.52) P2RY2P2RY4P2RY6P2RX3
SCHEMBL18852672 0.77 P2RY2 (0.52) P2RY2P2RY4P2RY6P2RX3
SCHEMBL18858915 0.77 P2RY2 (0.52) P2RY2P2RY4P2RY6P2RX3
SCHEMBL16805433 0.77 P2RY2 (0.52) P2RY2P2RY4P2RY6P2RX3
SCHEMBL24414862 0.77 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3
SCHEMBL625518 0.77 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US claimed
EP-1544294-B1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF RIKEN (JP) 2013-04-10 EP disclosed
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US disclosed
US-20060263771-A1 Nucleoside or nucleotides having novel unnatural bases and utilization of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-11-23 US disclosed
EP-1544294-A1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF Riken (JP) 2005-06-22 EP disclosed