SCHEMBL1069794

SCHEMBL1069794

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.66
ADORA1 P30542 3/20 0.66
P2RY2 P41231 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
SRC P12931 2/20 0.66
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
TRPM2 O94759 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PDE4D Q08499 1/20 0.66
KCNH2 Q12809 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PDE3A Q14432 1/20 0.66
TAS1R3 Q7RTX0 1/20 0.66
TAS1R1 Q7RTX1 1/20 0.66
P2RY11 Q96G91 1/20 0.66

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
SCHEMBL5550634 0.92 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL31001632 0.92 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL219554 0.92 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL11584743 0.92 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL1069825 0.90 ADORA1 (0.63) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL2165201 0.86 P2RY1 (0.83) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL3698839 0.86 ADORA3 (0.72) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL873362 0.86 ADORA3 (0.72) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8328542 0.85 ADORA1 (0.74) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL6026018 0.85 P2RY1 (0.70) P2RY1ADORA1P2RY2SMN1; SMN2SRC

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-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 WO disclosed