SCHEMBL16945765

SCHEMBL16945765

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.68
PRKACA P17612 2/20 0.67
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

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
SCHEMBL14178285 1.00 PLA2G2A (0.68) PLA2G2APRKACAP2RY1ADORA1P2RY2
SCHEMBL2790606 1.00 PLA2G2A (0.68) PLA2G2APRKACAP2RY1ADORA1P2RY2
SCHEMBL15297005 1.00 PLA2G2A (0.68) PLA2G2APRKACAP2RY1ADORA1P2RY2
Adenosine SCHEMBL8577634 0.96 ADORA3 (0.71) PLA2G2APRKACAP2RY1ADORA1P2RY2
SCHEMBL3429291 0.94 PLA2G2A (0.69) PLA2G2APRKACAP2RY1ADORA1P2RY2
SCHEMBL16945766 0.94 PLA2G2A (0.69) PLA2G2APRKACAP2RY1ADORA1P2RY2
Adenosine SCHEMBL15538483 0.92 ADORA1 (0.65) PLA2G2APRKACAP2RY1ADORA1P2RY2
SCHEMBL1066705 0.91 PRKACA (0.66) PRKACAP2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL13869231 0.91 PRKACA (0.69) PRKACAP2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL15538484 0.91 PRKACA (0.66) PRKACAP2RY1ADORA1P2RY2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657246-B1 MODULATOR OF ACTIVITY OF ADENYLATE CYCLASE PUBLIC UNIV CORP YOKOHAMA CITY (JP) 2016-04-13 EP claimed
US-9096632-B2 Modulator of activity of adenylate cyclase PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-08-04 US claimed
EP-2657246-B1 MODULATOR OF ACTIVITY OF ADENYLATE CYCLASE PUBLIC UNIV CORP YOKOHAMA CITY (JP) 2016-04-13 EP disclosed