SCHEMBL20428118

SCHEMBL20428118

CO[C@H]1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.63
DNPH1 O43598 1/20 0.63
PRKAB2 O43741 1/20 0.63
TRPM2 O94759 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
SRC P12931 1/20 0.63
ADORA1 P30542 1/20 0.63
P2RY2 P41231 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PDE3A Q14432 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
P2RY11 Q96G91 1/20 0.63

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
SCHEMBL16919748 0.94 POLB (0.61) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL18311990 0.94 POLB (0.61) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL16920517 0.94 POLB (0.61) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL12963372 0.93 POLB (0.60) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL27102633 0.92 P2RX3 (0.64) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL1062610 0.92 P2RX3 (0.64) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL12961953 0.92 P2RX3 (0.64) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL24059946 0.91 P2RY1 (0.64) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20282730 0.91 P2RY1 (0.64) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20266309 0.91 P2RY1 (0.64) P2RY1DNPH1PRKAB2TRPM2LDHA

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
EP-3152217-B1 CYCLIC DI-NUCLEOTIDES AS MODULATORS OF STING GLAXOSMITHKLINE IP DEV LTD (GB) 2018-08-01 EP disclosed