SCHEMBL24320810

SCHEMBL24320810

CNc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.57
P2RY2 P41231 2/20 0.57
GPR17 Q13304 2/20 0.55
P2RX3 P56373 5/20 0.53
P2RX2 Q9UBL9 4/20 0.53
P2RX4 Q99571 2/20 0.51
ADORA3 P0DMS8 1/20 0.48
P2RY6 Q15077 1/20 0.47
P2RY12 Q9H244 1/20 0.47
P2RX1 P51575 2/20 0.47
NT5E P21589 1/20 0.46

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
SCHEMBL20324865 0.92 P2RY1 (0.59) P2RY1ADORA3
SCHEMBL22687460 0.88 P2RY1 (0.51) P2RY1P2RY2ADORA3
SCHEMBL887094 0.87 P2RX3 (0.50) P2RY1P2RY2GPR17P2RX3P2RX2
Dda-Triphosphate SCHEMBL79815 0.86 P2RX3 (0.63) P2RY1P2RY2P2RX3P2RX2P2RX4
Dda-Triphosphate SCHEMBL23978346 0.86 P2RX3 (0.63) P2RY1P2RY2P2RX3P2RX2P2RX4
Dda-Triphosphate SCHEMBL30586994 0.86 P2RX3 (0.63) P2RY1P2RY2P2RX3P2RX2P2RX4
SCHEMBL8630966 0.86 P2RX3 (0.63) P2RY1P2RY2P2RX3P2RX2P2RX4
Dda-Triphosphate SCHEMBL24767736 0.86 P2RX3 (0.63) P2RY1P2RY2P2RX3P2RX2P2RX4
SCHEMBL13604126 0.86 P2RX3 (0.49) P2RY1P2RY2GPR17P2RX3P2RX2
Dda-Triphosphate SCHEMBL12932305 0.86 P2RX3 (0.63) P2RY1P2RY2P2RX3P2RX2P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022072731-A1 RAPID AND HIGHLY SENSITIVE LUMINESCENT BIOMOLECULE DETECTION ASCELLA BIOSYSTEMS, INC. (US) 2022-04-07 WO disclosed