SCHEMBL8423402

SCHEMBL8423402

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.83
P2RY11 Q96G91 5/20 0.83
NT5E P21589 3/20 0.82
CA5A P35218 1/20 0.79
ADORA3 P0DMS8 4/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA4 P22748 1/20 0.74
CA9 Q16790 1/20 0.74
ADORA1 P30542 2/20 0.73
DNPH1 O43598 1/20 0.73
PRKAB2 O43741 1/20 0.73
TRPM2 O94759 1/20 0.73
LDHA P00338 1/20 0.73
ADRB2 P07550 1/20 0.73
FBP1 P09467 1/20 0.73
SRC P12931 1/20 0.73
P2RY2 P41231 1/20 0.73
PRKAG1 P54619 1/20 0.73
PRKAA2 P54646 1/20 0.73

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
SCHEMBL8423419 1.00 P2RY1 (0.83) P2RY1P2RY11NT5ECA5AADORA3
SCHEMBL10120960 1.00 P2RY1 (0.83) P2RY1P2RY11NT5ECA5AADORA3
SCHEMBL2025155 0.92 P2RY1 (0.87) P2RY1P2RY11NT5EADORA3CA1
SCHEMBL2025163 0.92 P2RY1 (0.87) P2RY1P2RY11NT5EADORA3CA1
SCHEMBL2027165 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL2027164 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL15082695 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL29880723 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL14074374 0.91 NT5E (0.83) P2RY1P2RY11NT5ECA5AADORA3
SCHEMBL9136027 0.91 NT5E (0.83) P2RY1P2RY11NT5ECA5AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579643-A1 ATP ANALOGUES FISONS plc (GB) 1994-01-26 EP claimed
WO-1992017488-A1 ATP ANALOGUES FISONS PLC (GB) 1992-10-15 WO claimed
EP-0508687-A1 ATP analogues Astra Pharmaceuticals Limited (GB) 1992-10-14 EP claimed
US-5955447-A ADMINISTERING AS ANTICOAGULANT; TREATING CARDIOVASCULAR DISORDERS ASTRA PHARMACEUTICALS LIMITED (GB) 1999-09-21 US disclosed
US-5721219-A ANTICOAGULANTS ASTRA PHARMACEUTICALS LTD. (GB) 1998-02-24 US disclosed
EP-0683789-B1 N-ALKYL-2-SUBSTITUTED ATP ANALOGUES ASTRA PHARMA PROD (GB) 1997-11-05 EP disclosed
US-5654285-A ADP and ATP analogues, process for making and administration to inhibit ADP-induced platelet aggregation ASTRA PHARMACEUTICALS LIMITED (GB) 1997-08-05 US disclosed
EP-0683789-A1 N-ALKYL-2-SUBSTITUTED ATP ANALOGUES Astra Pharmaceuticals Limited (GB) 1995-11-29 EP disclosed
EP-0508687-B1 ATP analogues FISONS PLC (GB) 1995-09-13 EP disclosed
WO-1994018216-A1 N-ALKYL-2-SUBSTITUTED ATP ANALOGUES ASTRA PHARMACEUTICALS LIMITED (GB) 1994-08-18 WO disclosed
EP-0579643-A1 ATP ANALOGUES FISONS plc (GB) 1994-01-26 EP disclosed
WO-1992017488-A1 ATP ANALOGUES FISONS PLC (GB) 1992-10-15 WO disclosed
EP-0508687-A1 ATP analogues Astra Pharmaceuticals Limited (GB) 1992-10-14 EP disclosed