SCHEMBL8441069

SCHEMBL8441069

C=CC[C@@]1(n2cnc3c(=O)[nH]c(N)nc32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.51
KRAS P01116 2/20 0.51
PNP P00491 2/20 0.50
TGM2 P21980 1/20 0.49
FUT5 Q11128 1/20 0.47
POLB P06746 3/20 0.46
P2RY6 Q15077 2/20 0.46
P2RY2 P41231 1/20 0.46
P2RY4 P51582 1/20 0.46
NT5E P21589 1/20 0.45
POLA1 P09884 1/20 0.45
P2RX3 P56373 3/20 0.42
IMPDH2 P12268 1/20 0.42
DCPS Q96C86 1/20 0.41
P2RX1 P51575 2/20 0.41
P2RX2 Q9UBL9 1/20 0.41
ENPP1 P22413 1/20 0.40
P2RY1 P47900 1/20 0.40
P2RY11 Q96G91 1/20 0.40
P2RX4 Q99571 1/20 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
SCHEMBL8441071 0.92 POLG (0.51) POLGKRASPNPTGM2FUT5
SCHEMBL8435629 0.90 POLG (0.51) POLGKRASPNPTGM2FUT5
SCHEMBL8436546 0.88 POLG (0.50) POLGKRASPNPTGM2FUT5
SCHEMBL8440921 0.88 TGM2 (0.48) POLGKRASPNPTGM2FUT5
SCHEMBL8441414 0.87 POLG (0.46) POLGKRASPNPTGM2FUT5
SCHEMBL8440087 0.87 TGM2 (0.51) POLGKRASPNPTGM2FUT5
SCHEMBL8439180 0.86 POLG (0.46) POLGKRASPNPTGM2FUT5
SCHEMBL8435820 0.86 P2RX3 (0.40) POLGKRASPNPTGM2P2RY6
SCHEMBL4410921 0.85 TGM2 (0.55) POLGKRASPNPTGM2FUT5
SCHEMBL4381958 0.85 POLG (0.53) POLGKRASPNPTGM2FUT5

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