SCHEMBL8435820

SCHEMBL8435820

C=CC[C@@]1(n2cnc3c(=O)[nH]c(=O)[nH]c32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.40
IMPDH2 P12268 1/20 0.40
KRAS P01116 2/20 0.39
P2RX2 Q9UBL9 4/20 0.39
P2RX1 P51575 4/20 0.38
P2RX4 Q99571 3/20 0.38
POLG P54098 1/20 0.38
TGM2 P21980 1/20 0.37
P2RY6 Q15077 2/20 0.36
P2RY2 P41231 2/20 0.36
ENPP1 P22413 1/20 0.36
P2RY1 P47900 1/20 0.36
P2RY11 Q96G91 1/20 0.36
PNP P00491 1/20 0.36
P2RY4 P51582 1/20 0.36
RNASEL Q05823 1/20 0.36

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
SCHEMBL8436518 0.91 P2RX3 (0.40) P2RX3IMPDH2KRASP2RX2P2RX1
SCHEMBL8440907 0.89 P2RX3 (0.42) P2RX3IMPDH2P2RX2P2RX1P2RX4
SCHEMBL8435325 0.88 P2RX3 (0.42) P2RX3IMPDH2P2RX2P2RX1P2RX4
SCHEMBL8439125 0.87 P2RX3 (0.39) P2RX3IMPDH2P2RX2P2RX1P2RX4
SCHEMBL8439668 0.86 P2RX3 (0.36) P2RX3KRASP2RX2P2RX1P2RX4
SCHEMBL8440833 0.86 P2RX3 (0.44) P2RX3P2RX2P2RX1P2RX4TGM2
SCHEMBL8439436 0.86 FNTA (0.37) P2RX3P2RX2P2RX1P2RX4
SCHEMBL8441069 0.86 POLG (0.51) P2RX3IMPDH2KRASP2RX2P2RX1
SCHEMBL8436303 0.84 P2RY2 (0.43) P2RX3IMPDH2P2RX2P2RX1P2RX4
SCHEMBL8440013 0.82 P2RX3 (0.41) P2RX3IMPDH2P2RX2P2RX1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US claimed
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US disclosed
US-5639653-A ADMINISTERING MONOALKYL- OR ALKENYL-PYROPHOSPHATE TO MAMMAL TO STIMULATE LYMPHOCYTE CELL GROWTH AND ENHANCE IMMUNE RESPONSE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSTIY (US) 1997-06-17 US disclosed