SCHEMBL20224837

SCHEMBL20224837

C[C@]1(COP(=O)(O)S)O[C@@H](n2cnc3c(N)ncnc32)C/C1=C\O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.45
P2RX3 P56373 2/20 0.45
P2RX4 Q99571 2/20 0.45
POLB P06746 1/20 0.44
P2RY1 P47900 6/20 0.43
P2RY2 P41231 4/20 0.42
P2RY11 Q96G91 2/20 0.42
SRC P12931 2/20 0.42
DNPH1 O43598 1/20 0.42
PRKAB2 O43741 1/20 0.42
TRPM2 O94759 1/20 0.42
LDHA P00338 1/20 0.42
ADRB2 P07550 1/20 0.42
FBP1 P09467 1/20 0.42
ADORA1 P30542 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRKAA1 Q13131 1/20 0.42

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
SCHEMBL21298878 0.80 P2RX3 (0.47) P2RX1P2RX3P2RX4POLBP2RY1
SCHEMBL20325328 0.80 P2RX3 (0.47) P2RX1P2RX3P2RX4POLBP2RY1
SCHEMBL24559535 0.74 P2RX1 (0.49) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL24276629 0.74 P2RX1 (0.49) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL24559534 0.72 P2RX3 (0.46) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL21637015 0.72 P2RY1 (0.53) P2RX1P2RX3P2RX4POLBP2RY1
SCHEMBL24276968 0.72 P2RY1 (0.48) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL21298920 0.72 P2RX3 (0.49) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL22352200 0.72 POLB (0.53) P2RX1P2RX3P2RX4POLBP2RY1
SCHEMBL21636992 0.72 POLB (0.53) P2RX1P2RX3P2RX4POLBP2RY1

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-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 WO disclosed