SCHEMBL4377679

SCHEMBL4377679

NC1=c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2=NCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 3/20 0.51
P2RY1 P47900 6/20 0.49
P2RX3 P56373 5/20 0.49
P2RX1 P51575 3/20 0.49
P2RY2 P41231 3/20 0.49
P2RX2 Q9UBL9 3/20 0.49
P2RX4 Q99571 2/20 0.49
ENPP1 P22413 2/20 0.49
P2RY6 Q15077 2/20 0.49
P2RY11 Q96G91 1/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MACROD2 A1Z1Q3 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
MACROD1 Q9BQ69 1/20 0.49
TRPM2 O94759 1/20 0.49
P2RY12 Q9H244 1/20 0.48
GPR17 Q13304 1/20 0.46
P2RY4 P51582 1/20 0.46

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
SCHEMBL625829 0.84 P2RY1 (0.57) RNASELP2RY1P2RX3P2RX1P2RY2
SCHEMBL136036 0.79 TP53 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL3512412 0.78 NT5E (0.53) RNASELP2RY1P2RX3P2RY2P2RX2
SCHEMBL4388097 0.76 P2RY1 (0.60) RNASELP2RY1P2RX3P2RX1P2RY2
SCHEMBL4388119 0.76 P2RY1 (0.60) RNASELP2RY1P2RX3P2RX1P2RY2
SCHEMBL4406383 0.76 TP53 (0.47) P2RY1P2RY2P2RY11SRCALDH1A1
SCHEMBL6704190 0.76 ATIC (0.57) RNASELP2RY1P2RX3P2RX1P2RY2
SCHEMBL5721746 0.76 P2RX3 (0.52) RNASELP2RY1P2RX3P2RX1P2RY2
SCHEMBL4377692 0.75 P2RY1 (0.51) RNASELP2RY1P2RX3P2RX1P2RY2
SCHEMBL2449672 0.75 ATIC (0.56) RNASELP2RY1P2RX3P2RY2P2RY11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298708-A1 2'-DEOXY-2'-FLUORO-BETA-D-ARABINONUCLEOSIDE 5'-TRIPHOSPHATES AND THEIR USE IN ENZYMATIC NUCLEIC ACID SYNTHESIS MASAD DAMHA J 2009-12-03 US disclosed
WO-2008022469-A1 2'-DEOXY-2'-FLUORO-β-D-ARABINONUCLEOSIDE 5'-TRIPHOSPHATES AND THEIR USE IN ENZYMATIC NUCLEIC ACID SYNTHESIS MCGILL UNIVERSITY (CA) 2008-02-28 WO disclosed