SCHEMBL3247723

SCHEMBL3247723

N#Cc1ccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.42
CHEK1 O14757 1/20 0.40
WEE1 P30291 1/20 0.40
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MAP2 P11137 1/20 0.38
PRKAB2 O43741 3/20 0.38
PRKAG1 P54619 3/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAA1 Q13131 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 3/20 0.38
PRKAB1 Q9Y478 3/20 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
SCHEMBL3249242 0.90 XDH (0.49) FASNCHEK1WEE1CYP1A2HSD17B10
SCHEMBL3249304 0.87 NR4A2 (0.48) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3250737 0.85 CYP1A2 (0.41) CHEK1WEE1CYP1A2HSD17B10GRIK1
SCHEMBL3249012 0.84 NPC1 (0.46) CYP1A2HSD17B10CSF1R
SCHEMBL4155216 0.82 GSK3B (0.40) FASNCHEK1WEE1MAP2PADI4
SCHEMBL3249118 0.82 KDM4E (0.51) CYP1A2HSD17B10PRKAB2PRKAG1PRKAA2
SCHEMBL3252127 0.81 CYP1A2 (0.42) FASNCYP1A2HSD17B10GRIK1GRIK2
SCHEMBL3248872 0.81 WEE1 (0.41) WEE1CYP1A2HSD17B10GRIK1GRIK2
SCHEMBL3245574 0.81 NPC1 (0.43) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3248372 0.81 CDK4 (0.43) CHEK1WEE1CYP1A2HSD17B10GRIK1

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 6 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-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO 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