SCHEMBL903329

SCHEMBL903329

N#CCCOP(=O)(OCCC#N)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.70
TYMP P19971 3/20 0.57
GSK3A P49840 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK14 Q16539 2/20 0.56
NT5E P21589 1/20 0.51
IMPDH2 P12268 5/20 0.51
P2RY2 P41231 4/20 0.51
P2RY1 P47900 4/20 0.51
SRC P12931 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
ADORA1 P30542 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51

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
Water SCHEMBL30238056 0.84 P2RX3 (0.79) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL29379936 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL12727824 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL26862112 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL24377014 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL24160912 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL184240 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL12931223 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL18258283 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL903330 0.84 P2RX3 (0.85) P2RX3TYMPGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041965-A1 PROCESS FOR PRODUCING DIALKYLPHOSPHOTRIESTERS OF NUCLEOSIDES BY ENZYMATIC TRANSESTERIFICATION AND DEPROTECTION THEREOF FOR PRODUCING NUCLEOSIDE MONOPHOSPHATES UNIVERSIDAD NACIONAL DE QUILMES (AR) 2012-04-05 WO disclosed