SCHEMBL9147705

SCHEMBL9147705

Nc1ncnc2c1ncn2C1CCC(OCP(O)O)C1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 11/20 0.71
ADORA2A P29274 5/20 0.60
PI4KA P42356 3/20 0.54
PI4K2B Q8TCG2 3/20 0.54
PI4K2A Q9BTU6 3/20 0.54
PI4KB Q9UBF8 3/20 0.54
ADORA3 P0DMS8 3/20 0.54
ADORA1 P30542 3/20 0.54
ADORA2B P29275 2/20 0.54
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHKA P35790 1/20 0.47

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
SCHEMBL9151388 0.86 ADCY5 (0.64) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045745 0.83 ADCY5 (1.00) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045813 0.83 ADCY5 (1.00) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045769 0.83 ADCY5 (1.00) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045770 0.83 ADCY5 (1.00) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9684255 0.82 ADCY5 (0.72) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045754 0.81 ADCY5 (1.00) ADCY5ADORA2A
SCHEMBL6045569 0.81 ADCY5 (1.00) ADCY5ADORA2A
SCHEMBL6045626 0.81 ADCY5 (1.00) ADCY5ADORA2A
SCHEMBL6045622 0.81 ADCY5 (1.00) ADCY5ADORA2A

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-0369409-B1 Carbocyclic nucleosides and nucleotides ACAD OF SCIENCE CZECH REPUBLIC (CS) 1995-01-04 EP claimed
EP-0369409-A1 Carbocyclic nucleosides and nucleotides INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1990-05-23 EP claimed
EP-0369409-B1 Carbocyclic nucleosides and nucleotides ACAD OF SCIENCE CZECH REPUBLIC (CS) 1995-01-04 EP disclosed