SCHEMBL4377692

SCHEMBL4377692

NC1c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)c2N=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.51
P2RX3 P56373 5/20 0.51
P2RX1 P51575 3/20 0.51
ENPP1 P22413 2/20 0.51
P2RX4 Q99571 2/20 0.51
P2RY6 Q15077 2/20 0.51
P2RY11 Q96G91 1/20 0.51
P2RX2 Q9UBL9 3/20 0.49
P2RY12 Q9H244 2/20 0.49
P2RY2 P41231 3/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RNASEL Q05823 3/20 0.48
MACROD2 A1Z1Q3 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
MACROD1 Q9BQ69 1/20 0.48
TRPM2 O94759 1/20 0.48
P2RY4 P51582 1/20 0.47

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
SCHEMBL14656902 0.82 ADA (0.47) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL25778822 0.79 RNASEL (0.55) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL14314030 0.79 RNASEL (0.55) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL14279202 0.79 RNASEL (0.55) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL5059606 0.78 ADA (0.47) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL2028602 0.78 ADA (0.61) ALDH1A1SMN1; SMN2
SCHEMBL136037 0.78 ADA (0.61) ALDH1A1SMN1; SMN2
SCHEMBL1178199 0.78 P2RY2 (0.41) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL18999746 0.77 P2RY1 (0.59) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL6669695 0.76 ADA (0.52) ALDH1A1SMN1; SMN2

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