SCHEMBL20058653

SCHEMBL20058653

C[C@H]1C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.47
▸ P2RX1 P51575 3/20 0.47
▸ P2RX3 P56373 3/20 0.47
▸ ENPP1 P22413 2/20 0.47
▸ P2RX4 Q99571 2/20 0.47
▸ P2RY11 Q96G91 2/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ P2RY12 Q9H244 2/20 0.46
▸ RNASEL Q05823 4/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.44
▸ IMPDH2 P12268 1/20 0.43
▸ IMPDH1 P20839 1/20 0.43
▸ GPR17 Q13304 2/20 0.42
▸ NT5E P21589 1/20 0.42

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
SCHEMBL20059105 0.90 P2RX1 (0.40) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL20879494 0.89 P2RX3 (0.55) P2RY1P2RX1P2RX3P2RX4RNASEL
SCHEMBL23584294 0.84 P2RY1 (0.57) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL24081984 0.83 P2RY1 (0.42) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23760782 0.82 P2RY1 (0.42) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23761014 0.82 P2RY1 (0.42) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL12932312 0.82 P2RY1 (0.57) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL25720747 0.80 P2RY1 (0.51) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL22475057 0.79 POLG (0.54) P2RY6P2RY12
SCHEMBL25723534 0.78 RNASEL (0.47) P2RY1P2RX1P2RX3ENPP1P2RX4

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
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
Send feedback