SCHEMBL1063333

SCHEMBL1063333

CN[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 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.75
▸ P2RX1 P51575 4/20 0.75
▸ P2RX3 P56373 4/20 0.75
▸ P2RY2 P41231 3/20 0.75
▸ P2RX2 Q9UBL9 2/20 0.75
▸ P2RX4 Q99571 2/20 0.75
▸ SRC P12931 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ RNASEL Q05823 3/20 0.72
▸ TRPM2 O94759 2/20 0.71
▸ MACROD2 A1Z1Q3 1/20 0.71
▸ SIRT6 Q8N6T7 1/20 0.71
▸ MACROD1 Q9BQ69 1/20 0.71
▸ DNPH1 O43598 1/20 0.67
▸ PRKAB2 O43741 1/20 0.67
▸ LDHA P00338 1/20 0.67
▸ ADRB2 P07550 1/20 0.67
▸ FBP1 P09467 1/20 0.67
▸ ADORA1 P30542 1/20 0.67

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
SCHEMBL15721190 1.00 P2RY1 (0.75) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL8861505 0.91 P2RY1 (0.72) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL8861515 0.91 P2RY1 (0.72) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL12943889 0.90 P2RX3 (0.75) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL1062593 0.89 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL12884728 0.89 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL12932315 0.89 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL376009 0.89 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL468214 0.89 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL8980 0.89 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 3 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
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