SCHEMBL22352154

SCHEMBL22352154

Nc1ncnc2c1ncn2[C@H]1CCC(CO[PH](=O)O)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
ADA P00813 1/20 0.50
ADORA1 P30542 2/20 0.49
DNPH1 O43598 1/20 0.49
PRKAB2 O43741 1/20 0.49
TRPM2 O94759 1/20 0.49
LDHA P00338 1/20 0.49
ADRB2 P07550 1/20 0.49
FBP1 P09467 1/20 0.49
SRC P12931 1/20 0.49
P2RY2 P41231 1/20 0.49
P2RY1 P47900 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PDE3A Q14432 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49

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
SCHEMBL12149869 1.00 BCHE (0.53) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL13488853 1.00 BCHE (0.53) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL22087052 0.90 BCHE (0.54) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL23679817 0.89 BCHE (0.53) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL12149876 0.89 BCHE (0.55) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL22139835 0.89 BCHE (0.45) BCHEADORA1DNPH1PRKAB2TRPM2
SCHEMBL22930684 0.88 POLB (0.47) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL18822984 0.88 POLB (0.47) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL18822622 0.88 POLB (0.47) BCHEADAADORA1DNPH1PRKAB2
SCHEMBL18823061 0.88 POLB (0.47) BCHEADAADORA1DNPH1PRKAB2

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed