SCHEMBL23761036

SCHEMBL23761036

C[C@@H]1[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H](C)[C@@H]1Cn1cnc2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.49
▸ P2RX1 P51575 4/20 0.49
▸ P2RX2 Q9UBL9 3/20 0.49
▸ P2RX4 Q99571 4/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ P2RY1 P47900 5/20 0.46
▸ P2RY2 P41231 4/20 0.46
▸ P2RY11 Q96G91 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RNASEL Q05823 2/20 0.46
▸ ENPP1 P22413 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
SCHEMBL23760782 0.89 P2RY1 (0.42) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL24082005 0.86 P2RX3 (0.51) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL20879494 0.82 P2RX3 (0.55) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL24081967 0.82 P2RX1 (0.49) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL23760791 0.81 TRPM2 (0.48) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL21257339 0.81 P2RX3 (0.53) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL18840499 0.79 P2RX3 (0.57) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL24081971 0.79 P2RY1 (0.56) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL24081955 0.78 P2RX3 (0.51) P2RX3P2RX1P2RX2P2RX4TRPM2
SCHEMBL22887211 0.78 P2RX3 (0.55) P2RX3P2RX1P2RX2P2RX4TRPM2

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
Send feedback