SCHEMBL1865640

SCHEMBL1865640

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(N)O)c(=O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(N)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.61
SLC29A1 Q99808 2/20 0.56
PDE4D Q08499 1/20 0.56
PDE3A Q14432 1/20 0.56
ADORA3 P0DMS8 5/20 0.49
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
ADORA1 P30542 2/20 0.49
DPP4 P27487 1/20 0.49
MEN1 O00255 1/20 0.49
SLC28A1 O00337 1/20 0.49
MAP3K7 O43318 1/20 0.49
SLC28A2 O43868 1/20 0.49
GAPDH P04406 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA2B P29275 1/20 0.49
STAT6 P42226 1/20 0.49
KMT2A Q03164 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
SCHEMBL17440175 0.87 ADORA2A (0.77) ADORA2ASLC29A1ADORA3PI4KAPI4K2B
SCHEMBL546470 0.87 ADORA2A (0.77) ADORA2ASLC29A1ADORA3PI4KAPI4K2B
SCHEMBL547055 0.85 PDE3A (0.74) SLC29A1PDE4DPDE3ASMN1; SMN2POLB
Phosphoric Acid SCHEMBL20305062 0.85 ADORA2A (0.70) ADORA2ASLC29A1PDE4DPDE3AADORA3
Phosphoric Acid SCHEMBL20769284 0.81 PDE3A (0.68) SLC29A1PDE4DPDE3APOLBLMNA
Phosphoric Acid SCHEMBL4576226 0.81 PDE3A (0.68) SLC29A1PDE4DPDE3APOLBLMNA
Adenosine SCHEMBL15753064 0.80 ADORA3 (0.75) ADORA2ASLC29A1PDE4DPDE3AADORA3
Adenosine SCHEMBL624354 0.80 ADORA3 (0.75) ADORA2ASLC29A1PDE4DPDE3AADORA3
Adenosine SCHEMBL1179624 0.80 ADORA3 (0.75) ADORA2ASLC29A1PDE4DPDE3AADORA3
Vidarabine SCHEMBL1684018 0.80 ADORA3 (0.74) ADORA2ASLC29A1PDE4DPDE3AADORA3

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-2010057160-A9 RELEASABLE FUSOGENIC LIPIDS FOR NUCLEIC ACIDS DELIVERY SYSTEMS ENZON PHARMACEUTICALS, INC. (US) 2011-05-05 WO disclosed