SCHEMBL3241736

SCHEMBL3241736

Nc1ccccc1-c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 3/20 0.39
CHEK1 O14757 2/20 0.39
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PRKAB2 O43741 4/20 0.38
PRKAG1 P54619 4/20 0.38
PRKAA2 P54646 4/20 0.38
PRKAA1 Q13131 4/20 0.38
PRKAG3 Q9UGI9 4/20 0.38
PRKAG2 Q9UGJ0 4/20 0.38
PRKAB1 Q9Y478 4/20 0.38
MPL P40238 1/20 0.36
PARP1 P09874 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
BACE1 P56817 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIA1 P42261 2/20 0.36

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
SCHEMBL3245633 0.87 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3249304 0.86 NR4A2 (0.48) CYP1A2HSD17B10KDM4EPRKAB2PRKAG1
SCHEMBL3248629 0.86 MCL1 (0.50) CYP1A2HSD17B10KDM4EPRKAB2PRKAG1
SCHEMBL3254828 0.85 NPC1 (0.45) CHEK1CYP1A2HSD17B10KDM4E
SCHEMBL3250737 0.84 CYP1A2 (0.41) WEE1CHEK1CYP1A2HSD17B10KDM4E
SCHEMBL3247597 0.83 MCL1 (0.46) WEE1CHEK1CYP1A2HSD17B10KDM4E
SCHEMBL3241482 0.83 WEE1 (0.39) WEE1CYP1A2HSD17B10PRKAB2PRKAG1
SCHEMBL4165826 0.82 HPGD (0.43) WEE1CHEK1PARP1
SCHEMBL3241773 0.81 NGFR (0.49) CYP1A2HSD17B10KDM4EPARP1CSNK2A2
SCHEMBL3245137 0.81 MCL1 (0.53) BACE1MCL1

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