SCHEMBL14071995

SCHEMBL14071995

CNc1ncnc2c([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@]3(C)O)coc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.41
P2RY2 P41231 3/20 0.41
GPR17 Q13304 2/20 0.38
P2RX3 P56373 6/20 0.36
P2RX2 Q9UBL9 4/20 0.36
P2RX4 Q99571 3/20 0.36
P2RX1 P51575 3/20 0.36
NT5E P21589 1/20 0.33
P2RY6 Q15077 1/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL264096 0.84 GPR17 (0.43) P2RY1P2RY2GPR17P2RX3P2RX2
SCHEMBL13877182 0.83 P2RY2 (0.41) P2RY1P2RY2GPR17P2RX3P2RX2
SCHEMBL2610998 0.78 P2RX3 (0.49) P2RY1P2RY2GPR17P2RX3P2RX2
SCHEMBL264673 0.74 P2RY1 (0.35) P2RY1P2RY2P2RY12
SCHEMBL264779 0.72 P2RX3 (0.47) P2RY1P2RY2P2RX3P2RX2P2RX4
SCHEMBL280492 0.72 P2RX3 (0.46) P2RY1P2RY2P2RX3P2RX2P2RX4
SCHEMBL280534 0.67 CA12 (0.36)
SCHEMBL24320810 0.67 P2RY1 (0.57) P2RY1P2RY2GPR17P2RX3P2RX2
SCHEMBL264655 0.65 ADORA3 (0.40)
SCHEMBL21283049 0.63 P2RY1 (0.53) P2RY1P2RY2GPR17P2RX3P2RX2

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
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed