SCHEMBL1062593

SCHEMBL1062593

C[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.81
▸ P2RX1 P51575 5/20 0.81
▸ P2RX3 P56373 5/20 0.81
▸ P2RY2 P41231 4/20 0.81
▸ P2RX2 Q9UBL9 2/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ SRC P12931 2/20 0.81
▸ P2RX4 Q99571 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81
▸ RNASEL Q05823 3/20 0.77
▸ TRPM2 O94759 2/20 0.75
▸ MACROD2 A1Z1Q3 1/20 0.75
▸ SIRT6 Q8N6T7 1/20 0.75
▸ MACROD1 Q9BQ69 1/20 0.75
▸ ENPP1 P22413 1/20 0.71
▸ DNPH1 O43598 1/20 0.71
▸ PRKAB2 O43741 1/20 0.71
▸ LDHA P00338 1/20 0.71
▸ ADRB2 P07550 1/20 0.71
▸ FBP1 P09467 1/20 0.71

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
SCHEMBL12884728 1.00 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL12932315 1.00 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL29642908 0.94 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL21082399 0.94 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL20820215 0.94 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL24063413 0.94 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL16203363 0.94 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL12932265 0.94 P2RX3 (0.75) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL20550531 0.93 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL4366441 0.93 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451980-B1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES (US) 2014-05-21 — — EP claimed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 — — US claimed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 — — US claimed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
Send feedback