SCHEMBL4366555

SCHEMBL4366555

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.73
TGM2 P21980 1/20 0.72
KRAS P01116 4/20 0.68
FUT5 Q11128 1/20 0.67
P2RY6 Q15077 2/20 0.64
P2RY2 P41231 1/20 0.64
P2RY4 P51582 1/20 0.64
P2RX3 P56373 2/20 0.63
IMPDH2 P12268 6/20 0.62
IMPDH1 P20839 2/20 0.62
HINT1 P49773 1/20 0.61
ENPP1 P22413 1/20 0.60
P2RY1 P47900 1/20 0.60
P2RX1 P51575 1/20 0.60
P2RY11 Q96G91 1/20 0.60
P2RX4 Q99571 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60

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
SCHEMBL28597191 1.00 NT5E (0.73) NT5ETGM2KRASFUT5P2RY6
SCHEMBL27819299 0.99 NT5E (0.74) NT5ETGM2KRASFUT5P2RY6
SCHEMBL574773 0.99 NT5E (0.74) NT5ETGM2KRASFUT5P2RY6
SCHEMBL28222628 0.99 NT5E (0.74) NT5ETGM2KRASFUT5P2RY6
SCHEMBL28275952 0.98 NT5E (0.75) NT5ETGM2KRASFUT5P2RY6
SCHEMBL27688115 0.97 NT5E (0.77) NT5ETGM2KRASFUT5P2RY6
SCHEMBL8501729 0.96 NT5E (0.74) NT5ETGM2KRASFUT5P2RY6
SCHEMBL5994438 0.94 NT5E (0.72) NT5ETGM2KRASFUT5P2RY6
SCHEMBL376139 0.94 TGM2 (0.81) NT5ETGM2KRASFUT5P2RY6
Gtp SCHEMBL5809658 0.94 TGM2 (0.81) NT5ETGM2KRASFUT5P2RY6

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
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed