SCHEMBL3247597

SCHEMBL3247597

Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
CHEK1 O14757 1/20 0.40
WEE1 P30291 1/20 0.40
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A2 P43354 1/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
GRIK3 Q13003 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
PARP1 P09874 3/20 0.37
NGFR P08138 1/20 0.37
MPL P40238 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL3250737 0.90 CYP1A2 (0.41) CHEK1WEE1CYP1A2HSD17B10NR4A2
SCHEMBL3249304 0.89 NR4A2 (0.48) MCL1CYP1A2HSD17B10NR4A2GRIK1
SCHEMBL3248372 0.87 CDK4 (0.43) CHEK1WEE1CYP1A2HSD17B10NR4A2
SCHEMBL3241773 0.87 NGFR (0.49) MCL1CYP1A2HSD17B10PARP1NGFR
SCHEMBL3249890 0.84 TRIM24 (0.45) CYP1A2HSD17B10NR4A2GRIK1GRIK2
SCHEMBL3245608 0.84 ACMSD (0.48) CHEK1WEE1CYP1A2HSD17B10NR4A2
SCHEMBL3247523 0.84 CLEC4M (0.46) CYP1A2KDM4E
SCHEMBL3249253 0.84 PLA2G1B (0.37) MCL1CHEK1WEE1CYP1A2HSD17B10
SCHEMBL3249242 0.84 XDH (0.49) CHEK1WEE1CYP1A2HSD17B10NR4A2
SCHEMBL3241736 0.83 WEE1 (0.39) MCL1CHEK1WEE1CYP1A2HSD17B10

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