SCHEMBL30252013

SCHEMBL30252013

O=C(O)c1ccc(Oc2nc(C3CCOCC3)c(-c3ccc(F)c(F)c3)c3cc4cn[nH]c4cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.36
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
MAOB P27338 1/20 0.34
SGK1 O00141 2/20 0.33
MAP4K1 Q92918 1/20 0.33
FEN1 P39748 2/20 0.33
HAO1 Q9UJM8 2/20 0.33
ANPEP P15144 1/20 0.32
DRD1 P21728 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
FAAH O00519 1/20 0.32
CDC7 O00311 1/20 0.32

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
SCHEMBL23884504 1.00 PDE10A (0.36) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23906088 0.92 PDE10A (0.39) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25474929 0.91 MAPK1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906327 0.91 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906175 0.90 PRKAB2 (0.34) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25474926 0.89 ACACB (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25474924 0.88 GCK (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906153 0.87 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23905409 0.86 PDE10A (0.38) PDE10ADRD1EGLN1
SCHEMBL23906148 0.85 FGFR2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
CN-115715292-A 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-24 CN disclosed