SCHEMBL7027633

SCHEMBL7027633

CC(CO)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
DOT1L Q8TEK3 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
ADORA2A P29274 2/20 0.69
ADORA2B P29275 2/20 0.69
DPP4 P27487 1/20 0.69
MEN1 O00255 1/20 0.69
SLC28A1 O00337 1/20 0.69
MAP3K7 O43318 1/20 0.69
SLC28A2 O43868 1/20 0.69
GAPDH P04406 1/20 0.69
MAPK1 P28482 1/20 0.69
STAT6 P42226 1/20 0.69
PI4KA P42356 1/20 0.69
KMT2A Q03164 1/20 0.69
PI4K2B Q8TCG2 1/20 0.69
SLC29A1 Q99808 1/20 0.69
PI4K2A Q9BTU6 1/20 0.69
SLC28A3 Q9HAS3 1/20 0.69

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
SCHEMBL7435435 0.91 AHCY (0.71) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL859643 0.88 ADORA1 (0.67) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL1553926 0.88 ADORA1 (0.67) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL7321557 0.86 NT5E (0.68) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL17202728 0.85 P2RY1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL17202843 0.85 P2RY1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL21947634 0.85 P2RY1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL17206372 0.85 P2RY1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL15338536 0.85 ADORA1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL15926827 0.85 ADORA1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A

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-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO claimed