SCHEMBL5771692

SCHEMBL5771692

CC(C)(C)[C@@H]1[C@H](O)[C@@H](CO)O[C@@]1(Cc1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.45
ADORA2A P29274 4/20 0.45
GMPS P49915 1/20 0.45
ADORA1 P30542 3/20 0.44
PI4KA P42356 3/20 0.42
PI4K2B Q8TCG2 3/20 0.42
PI4K2A Q9BTU6 3/20 0.42
PI4KB Q9UBF8 3/20 0.42
SLC28A2 O43868 2/20 0.42
SLC28A1 O00337 2/20 0.42
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.42
MAP3K7 O43318 1/20 0.42
GAPDH P04406 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA2B P29275 1/20 0.42
STAT6 P42226 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DOT1L Q8TEK3 1/20 0.42

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
Adenosine SCHEMBL771467 0.91 ADORA3 (0.59) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL622587 0.89 ADORA3 (0.49) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL8623729 0.85 ADORA3 (0.45) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL5773666 0.83 EHMT1 (0.43) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL27389905 0.83 ADORA3 (0.44) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL10708354 0.83 ADORA3 (0.48) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL13269086 0.81 ADORA3 (0.48) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL1434125 0.81 ADORA3 (0.48) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL25389234 0.81 SLC28A2 (0.43) ADORA3ADORA2AGMPSADORA1PI4KA
SCHEMBL932845 0.81 ADORA3 (0.49) ADORA3ADORA2AGMPSADORA1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611254-A2 COMPOSITIONS AND METHODS FOR DETECTING CERTAIN FLAVIVIRUSES, INCLUDING MEMBERS OF THE JAPANESE ENCEPHALITIS VIRUS SEROGROUP Roche Diagnostics GmbH (DE) 2006-01-04 EP disclosed
WO-2004092412-A2 COMPOSITIONS AND METHODS FOR DETECTING CERTAIN FLAVIVIRUSES, INCLUDING MEMBERS OF THE JAPANESE ENCEPHALITIS VIRUS SEROGROUP ROCHE DIAGNOSTICS GMBH (DE) 2004-10-28 WO disclosed