SCHEMBL8435618

SCHEMBL8435618

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.55
NT5E P21589 1/20 0.55
FUT5 Q11128 1/20 0.54
HINT1 P49773 3/20 0.53
KRAS P01116 2/20 0.52
P2RY2 P41231 1/20 0.49
P2RY4 P51582 1/20 0.49
P2RY6 Q15077 1/20 0.49
STING1 Q86WV6 2/20 0.48
IMPDH2 P12268 2/20 0.48
POLB P06746 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
IMPDH1 P20839 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
DCPS Q96C86 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
SCHEMBL8436532 0.94 TGM2 (0.54) TGM2NT5EFUT5HINT1KRAS
SCHEMBL8440067 0.92 FUT5 (0.53) TGM2NT5EFUT5HINT1KRAS
SCHEMBL8440912 0.90 TGM2 (0.52) TGM2NT5EFUT5HINT1KRAS
SCHEMBL8441055 0.90 KRAS (0.55) TGM2NT5EFUT5HINT1KRAS
SCHEMBL8438447 0.89 TGM2 (0.50) TGM2NT5EFUT5HINT1KRAS
SCHEMBL23710656 0.89 TGM2 (0.55) TGM2NT5EFUT5HINT1KRAS
SCHEMBL24772404 0.89 TGM2 (0.55) TGM2NT5EFUT5HINT1KRAS
SCHEMBL23710657 0.89 TGM2 (0.55) TGM2NT5EFUT5HINT1KRAS
SCHEMBL8439911 0.89 TGM2 (0.55) TGM2NT5EFUT5HINT1KRAS
SCHEMBL24772398 0.89 TGM2 (0.55) TGM2NT5EFUT5HINT1KRAS

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