SCHEMBL8862410

SCHEMBL8862410

CSc1nc(N)c2ncn([C@H]3O[C@@H](COP(=O)(O)O)C(O)C3O)c2n1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.86
ENPP1 P22413 4/20 0.86
P2RY12 Q9H244 2/20 0.86
P2RY11 Q96G91 3/20 0.85
P2RX1 P51575 1/20 0.85
P2RX3 P56373 1/20 0.85
P2RY6 Q15077 1/20 0.85
P2RX4 Q99571 1/20 0.85
BLM P54132 2/20 0.79
LMNA P02545 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
PMP22 Q01453 1/20 0.77
CYP2C19 P33261 1/20 0.77

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
SCHEMBL2527383 1.00 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL3490789 1.00 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL16700299 0.96 P2RY1 (0.80) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195864 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL18089710 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195865 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL12216627 0.93 P2RY1 (0.95) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL2463601 0.93 P2RY1 (0.81) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL29381860 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL10120953 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1

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 7 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-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-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