SCHEMBL8426440

SCHEMBL8426440

Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=S)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 6/20 0.70
P2RY1 P47900 6/20 0.65
P2RY11 Q96G91 5/20 0.65
CA5A P35218 1/20 0.64
NT5E P21589 5/20 0.63
ADORA3 P0DMS8 1/20 0.60
ENPP1 P22413 2/20 0.60
P2RY12 Q9H244 1/20 0.60
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
SRC P12931 1/20 0.59
ADORA1 P30542 1/20 0.59
P2RY2 P41231 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL29450811 0.90 RNASEL (0.85) RNASELP2RY1P2RY11CA5ANT5E
SCHEMBL26244974 0.90 RNASEL (0.85) RNASELP2RY1P2RY11CA5ANT5E
SCHEMBL1469233 0.89 RNASEL (0.56) RNASELP2RY1P2RY11CA5ANT5E
SCHEMBL1469227 0.89 RNASEL (0.56) RNASELP2RY1P2RY11CA5ANT5E
SCHEMBL8862428 0.88 P2RY1 (0.63) P2RY1P2RY11CA5ANT5EADORA3
SCHEMBL8862435 0.87 P2RY1 (0.62) P2RY1P2RY11CA5ANT5EADORA3
SCHEMBL8862433 0.87 P2RY1 (0.62) P2RY1P2RY11CA5ANT5EADORA3
SCHEMBL30055318 0.87 RNASEL (0.87) RNASELP2RY1P2RY11ENPP1P2RY12
SCHEMBL29936666 0.86 ADORA3 (0.78) RNASELCA5ANT5EADORA3ADORA1
SCHEMBL8622533 0.86 ADORA3 (0.78) RNASELCA5ANT5EADORA3ADORA1

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