SCHEMBL3243089

SCHEMBL3243089

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(I)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
KDM4E B2RXH2 5/20 0.39
CSNK2A2 P19784 4/20 0.37
CSNK2B P67870 4/20 0.37
CSNK2A1 P68400 4/20 0.37
PARP1 P09874 1/20 0.37
KDM3B Q7LBC6 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRIK3 Q13003 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL3241773 0.84 NGFR (0.49) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3251991 0.84 KDM4E (0.58) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3247734 0.84 CYP1A2 (0.45) CYP1A2HSD17B10F7F3
SCHEMBL3253875 0.82 GABRA1 (0.50) CYP1A2HSD17B10KDM4EALDH1A1POLB
SCHEMBL3245050 0.82 PARP1 (0.44) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3249304 0.82 NR4A2 (0.48) CYP1A2HSD17B10KDM4ECSNK2A2CSNK2B
SCHEMBL3252127 0.81 CYP1A2 (0.42) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3251484 0.81 HSD17B10 (0.42) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3250224 0.81 CYP1A2 (0.42) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3249438 0.81 PTPN11 (0.45) CYP1A2HSD17B10F7F3KDM4E

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