SCHEMBL3242991

SCHEMBL3242991

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(-c4cc[nH]n4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
KDM4E B2RXH2 5/20 0.34
NR4A2 P43354 1/20 0.34
PRKAG1 P54619 3/20 0.33
PRKAA1 Q13131 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAA2 P54646 2/20 0.33

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
SCHEMBL3252802 0.85 GABRA1 (0.43) CYP1A2HSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL3249304 0.82 NR4A2 (0.48) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL4159508 0.82 HPGD (0.39) HSD17B10KDM4EALDH1A1HPGDPARP1
SCHEMBL3245574 0.81 NPC1 (0.43) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3250737 0.80 CYP1A2 (0.41) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3244810 0.80 KDM4E (0.40) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3249118 0.80 KDM4E (0.51) CYP1A2HSD17B10KDM4ENR4A2PRKAG1
SCHEMBL3242975 0.79 PARP1 (0.49) CYP1A2HSD17B10KDM4EPRKAG1PRKAA1
SCHEMBL3249217 0.78 PARP1 (0.50) KDM4EGSK3BALDH1A1POLBGAA
SCHEMBL3249380 0.78 CAMKK2 (0.46) CYP1A2GSK3AGSK3BDYRK1ATET2

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