SCHEMBL14943009

SCHEMBL14943009

COP(=O)(O)OP(=O)(O)OP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(S)nc(N)nc32)[C@@H](O)C1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.59
▸ P2RY1 P47900 7/20 0.56
▸ P2RX3 P56373 3/20 0.56
▸ P2RY2 P41231 2/20 0.56
▸ P2RX1 P51575 2/20 0.56
▸ P2RX4 Q99571 2/20 0.56
▸ SRC P12931 1/20 0.56
▸ P2RX2 Q9UBL9 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ P2RY11 Q96G91 2/20 0.55
▸ ENPP1 P22413 2/20 0.55
▸ P2RY6 Q15077 1/20 0.55
▸ P2RY12 Q9H244 1/20 0.54
▸ IMPDH2 P12268 1/20 0.54
▸ IMPDH1 P20839 1/20 0.54
▸ CA5A P35218 1/20 0.53
▸ MACROD2 A1Z1Q3 1/20 0.53
▸ SIRT6 Q8N6T7 1/20 0.53
▸ MACROD1 Q9BQ69 1/20 0.53

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
SCHEMBL15084445 0.89 ADORA1 (0.62) NT5EP2RY1P2RX3P2RY2P2RX1
SCHEMBL10048581 0.87 P2RY1 (0.69) NT5EP2RY1P2RX3P2RY2P2RX1
SCHEMBL10017676 0.87 P2RY1 (0.69) NT5EP2RY1P2RX3P2RY2P2RX1
SCHEMBL2619749 0.87 P2RY1 (0.69) NT5EP2RY1P2RX3P2RY2P2RX1
SCHEMBL14625239 0.87 P2RY1 (0.69) NT5EP2RY1P2RX3P2RY2P2RX1
6-Thioguanylic Acid SCHEMBL15833214 0.86 CA5A (0.69) NT5EP2RY1P2RX3P2RY2SRC
SCHEMBL15038285 0.85 P2RY1 (0.60) NT5EP2RY1P2RX3P2RX1P2RX4
SCHEMBL15084469 0.84 P2RY1 (0.57) NT5EP2RY1P2RX3P2RY2P2RX1
SCHEMBL15038284 0.84 ADORA1 (0.62) NT5EP2RY1P2RX3P2RX1P2RX4
SCHEMBL18950170 0.82 ADORA3 (0.65) NT5EP2RY1P2RX3P2RY2P2RX1

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-8440812-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2013-05-14 — — US disclosed
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