SCHEMBL8202050

SCHEMBL8202050

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.83
TGM2 P21980 1/20 0.82
KRAS P01116 8/20 0.73
FUT5 Q11128 1/20 0.72
P2RX3 P56373 1/20 0.68
HINT1 P49773 1/20 0.68
IMPDH2 P12268 5/20 0.68
IMPDH1 P20839 1/20 0.68
P2RY2 P41231 1/20 0.66
P2RY4 P51582 1/20 0.66
P2RY6 Q15077 1/20 0.66
DCPS Q96C86 1/20 0.65

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
SCHEMBL21067722 0.96 TGM2 (0.85) NT5ETGM2KRASFUT5P2RX3
SCHEMBL18769114 0.96 TGM2 (0.85) NT5ETGM2KRASFUT5P2RX3
SCHEMBL851357 0.96 TGM2 (0.85) NT5ETGM2KRASFUT5P2RX3
SCHEMBL29429843 0.96 TGM2 (0.85) NT5ETGM2KRASFUT5P2RX3
SCHEMBL2826598 0.95 NT5E (0.79) NT5ETGM2KRASFUT5P2RX3
SCHEMBL24322609 0.95 NT5E (0.75) NT5ETGM2KRASFUT5P2RX3
SCHEMBL21171613 0.95 NT5E (0.75) NT5ETGM2KRASFUT5P2RX3
SCHEMBL21742889 0.95 NT5E (0.75) NT5ETGM2KRASFUT5P2RX3
SCHEMBL18769050 0.95 NT5E (0.75) NT5ETGM2KRASFUT5P2RX3
SCHEMBL18769051 0.95 NT5E (0.75) NT5ETGM2KRASFUT5P2RX3

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
CN-102565364-A Determination method for ammonia (ammonia ions) and ammonia (ammonia ion) diagnostic/assay kit SUZHOU ANJ BIOTECH CO LTD 2012-07-11 CN disclosed
US-6015697-A ECONOMICAL AND EFFICIENT PROCESS BY REACTING A NUCLEOSIDE WITH A PHOSPHATE DONOR GROUP IN PRESENCE OF MUTANT ACID PHOSPHATASE WITH DECREASED MICHAELIS CONSTANT FOR NUCLEOSIDE OR INCREASED TEMPERATURE STABILITY AJINOMOTO CO., INC. (JP) 2000-01-18 US disclosed