SCHEMBL21257339

SCHEMBL21257339

Nc1ncnc2c1ncn2C[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.53
▸ P2RX1 P51575 4/20 0.53
▸ P2RX2 Q9UBL9 2/20 0.53
▸ TRPM2 O94759 2/20 0.51
▸ P2RY1 P47900 5/20 0.50
▸ P2RX4 Q99571 5/20 0.50
▸ P2RY2 P41231 4/20 0.50
▸ SRC P12931 1/20 0.50
▸ P2RY11 Q96G91 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RNASEL Q05823 1/20 0.49
▸ ENPP1 P22413 1/20 0.48
▸ P2RX7 Q99572 1/20 0.47
▸ MACROD2 A1Z1Q3 1/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.47
▸ MACROD1 Q9BQ69 1/20 0.47

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
SCHEMBL23760924 0.85 ADCY5 (0.60) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL18840499 0.85 P2RX3 (0.57) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL19503295 0.84 P2RY1 (0.53) P2RX3P2RX2P2RY1P2RX4P2RY2
SCHEMBL24081955 0.84 P2RX3 (0.51) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL22887211 0.84 P2RX3 (0.55) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL24082005 0.83 P2RX3 (0.51) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL23761036 0.81 P2RX3 (0.49) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL21029886 0.81 POLB (0.61) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL20879494 0.81 P2RX3 (0.55) P2RX3P2RX1P2RX2TRPM2P2RY1
SCHEMBL24081967 0.81 P2RX1 (0.49) P2RX3P2RX1P2RX2TRPM2P2RY1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512863-B1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT ATEA PHARMACEUTICALS INC (US) 2021-12-08 — — EP disclosed
WO-2019157317-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-08-15 — — WO disclosed
Send feedback