SCHEMBL3248589

SCHEMBL3248589

COc1ccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
RIOK2 Q9BVS4 12/20 0.48
PADI4 Q9UM07 1/20 0.41
TDO2 P48775 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MAP3K11 Q16584 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NR4A2 P43354 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL3254800 0.88 RIOK2 (0.46) PRKAG1PRKAA1PRKAB1RIOK2LOXL2
SCHEMBL3250069 0.84 GRIK1 (0.42) PRKAG1PRKAA1PRKAB1RIOK2TLR8
SCHEMBL3249118 0.84 KDM4E (0.51) PRKAG1PRKAA1PRKAB1NR4A2
SCHEMBL4162119 0.84 RIOK2 (0.45) PRKAG1PRKAA1PRKAB1RIOK2PADI4
SCHEMBL3250859 0.80 RIOK2 (0.45) PRKAG1PRKAA1PRKAB1RIOK2PADI4
SCHEMBL3249304 0.80 NR4A2 (0.48) PRKAG1PRKAA1PRKAB1NR4A2
SCHEMBL3241765 0.80 NR4A2 (0.53) MKNK1MKNK2NR4A2
SCHEMBL3250737 0.78 CYP1A2 (0.41) PRKAG1PRKAA1PRKAB1NR4A2
SCHEMBL3242991 0.78 CYP1A2 (0.39) PRKAG1PRKAA1PRKAB1NR4A2
Propionic Acid SCHEMBL4162124 0.77 RIOK2 (0.50) PRKAG1PRKAA1PRKAB1RIOK2PADI4

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 4 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 claimed
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