SCHEMBL15948858

SCHEMBL15948858

CCOP(=O)(COC1CC(n2cnc3c(N)ncnc32)C1)OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 6/20 0.56
ADORA2A P29274 5/20 0.50
ADORA3 P0DMS8 3/20 0.48
ADORA1 P30542 3/20 0.48
PI4KA P42356 3/20 0.48
PI4K2B Q8TCG2 3/20 0.48
PI4K2A Q9BTU6 3/20 0.48
PI4KB Q9UBF8 3/20 0.48
ADORA2B P29275 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
AHCY P23526 1/20 0.45

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
SCHEMBL8660803 0.94 ADCY5 (0.65) ADCY5ADORA2AADORA3ADORA1PI4KA
SCHEMBL15948884 0.88 ADCY5 (0.59) ADCY5ADORA2AADORA3ADORA1PI4KA
SCHEMBL8662391 0.88 AHCY (0.47) ADCY5ADORA2BGAAAHCY
SCHEMBL8663734 0.88 AHCY (0.47) ADCY5ADORA2BGAAAHCY
SCHEMBL15948724 0.84 ADCY5 (0.60) ADCY5ADORA2AADORA3ADORA1PI4KA
SCHEMBL10421735 0.84 ADCY5 (0.60) ADCY5ADORA2AADORA3ADORA1PI4KA
SCHEMBL15948882 0.84 FAP (0.61) ADCY5ADORA2AADORA3ADORA1ADORA2B
SCHEMBL15948657 0.84 FAP (0.61) ADCY5ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8661785 0.82 ADCY5 (0.64) ADCY5GAA
SCHEMBL8661134 0.82 ADCY5 (0.64) ADCY5GAA

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-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 WO disclosed