SCHEMBL23760791

SCHEMBL23760791

CC1C[C@H](Cn2cnc3c(N)ncnc32)N[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 2/20 0.48
▸ P2RX1 P51575 3/20 0.48
▸ P2RX3 P56373 3/20 0.48
▸ P2RX2 Q9UBL9 2/20 0.48
▸ PARG Q86W56 1/20 0.47
▸ P2RY1 P47900 5/20 0.47
▸ P2RY2 P41231 4/20 0.47
▸ P2RX4 Q99571 2/20 0.47
▸ SRC P12931 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RNASEL Q05823 1/20 0.47
▸ P2RY11 Q96G91 1/20 0.46
▸ MACROD2 A1Z1Q3 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ MACROD1 Q9BQ69 1/20 0.45

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
SCHEMBL24081967 0.94 P2RX1 (0.49) TRPM2P2RX1P2RX3P2RX2PARG
SCHEMBL24081955 0.84 P2RX3 (0.51) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL23761014 0.82 P2RY1 (0.42) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL20879494 0.81 P2RX3 (0.55) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL23761036 0.81 P2RX3 (0.49) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL21257339 0.81 P2RX3 (0.53) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL24082005 0.80 P2RX3 (0.51) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL18840499 0.78 P2RX3 (0.57) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL22887211 0.77 P2RX3 (0.55) TRPM2P2RX1P2RX3P2RX2P2RY1
SCHEMBL21029886 0.76 POLB (0.61) TRPM2P2RX1P2RX3P2RX2P2RY1

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-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 — — EP disclosed
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