SCHEMBL21637015

SCHEMBL21637015

C[C@@]1(COP(=O)(O)O)CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.53
P2RY2 P41231 3/20 0.51
P2RY11 Q96G91 2/20 0.51
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
SRC P12931 1/20 0.51
ADORA1 P30542 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51

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 0.92 P2RX3 (0.47) P2RY1P2RY2P2RY11DNPH1PRKAB2
SCHEMBL20325328 0.92 P2RX3 (0.47) P2RY1P2RY2P2RY11DNPH1PRKAB2
SCHEMBL20325327 0.90 TAS1R3 (0.52) P2RY1TAS1R3TAS1R1POLBP2RX1
SCHEMBL22990449 0.85 P2RY1 (0.54) P2RY1P2RY2P2RY11DNPH1PRKAB2
SCHEMBL24695057 0.83 ADA (0.54) ADORA1SMN1; SMN2
SCHEMBL21299327 0.78 P2RY1 (0.58) P2RY1P2RY2P2RY11DNPH1PRKAB2
SCHEMBL25556575 0.78 P2RY1 (0.54) P2RY1P2RY2P2RY11DNPH1PRKAB2
SCHEMBL15075541 0.77 P2RY1 (0.57) P2RY1P2RY2P2RY11SRCSMN1; SMN2
SCHEMBL20324651 0.76 TAS1R3 (0.47) P2RY1TAS1R3TAS1R1POLBENPP1
SCHEMBL20959779 0.76 P2RY1 (0.62) P2RY1P2RY2P2RY11DNPH1PRKAB2

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-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 WO disclosed