SCHEMBL3244399

SCHEMBL3244399

CN(C1CC1)S(=O)(=O)c1cc2c(cc1Cl)[nH]c(=O)c1[nH]cc(C(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PKM P14618 1/20 0.39
PRKAG1 P54619 12/20 0.37
PRKAA1 Q13131 12/20 0.37
PRKAB1 Q9Y478 12/20 0.37
PRKAB2 O43741 11/20 0.37
PRKAA2 P54646 11/20 0.37
PRKAG3 Q9UGI9 11/20 0.37
PRKAG2 Q9UGJ0 11/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34

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
SCHEMBL3245870 0.89 PKM (0.39) GAAPKMPRKAG1PRKAA1PRKAB1
SCHEMBL3254879 0.88 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3247132 0.88 PKM (0.39) GAAPKMPRKAG1PRKAA1PRKAB1
SCHEMBL4171744 0.83 PKM (0.35) GAAPKM
SCHEMBL3250056 0.82 GAA (0.47) GAAMEN1ALDH1A1KMT2A
SCHEMBL4172113 0.81 CSNK2A2 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3244394 0.78 BCL2L1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3247121 0.77 GAA (0.44) GAAMEN1ALDH1A1KMT2A
SCHEMBL3253930 0.77 CSNK2A2 (0.33) GAAPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL3253927 0.77 CSNK2A2 (0.33) GAAPRKAG1PRKAA1PRKAB1PRKAB2

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed