SCHEMBL3250737

SCHEMBL3250737

Nc1ccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GRIK3 Q13003 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
NGFR P08138 1/20 0.39
NR4A2 P43354 1/20 0.38
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
MPL P40238 1/20 0.36
PARP1 P09874 2/20 0.36
F7 P08709 1/20 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
SCHEMBL3249304 0.90 NR4A2 (0.48) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3241773 0.90 NGFR (0.49) CYP1A2HSD17B10NGFRPARP1F7
SCHEMBL3247597 0.90 MCL1 (0.46) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3249118 0.85 KDM4E (0.51) CYP1A2HSD17B10MMP2MMP9MMP8
SCHEMBL3247723 0.85 FASN (0.42) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3248872 0.84 WEE1 (0.41) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3241736 0.84 WEE1 (0.39) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3249649 0.83 JAK2 (0.50) CYP1A2HSD17B10KDM4EKMT2AJAK2
SCHEMBL3248372 0.83 CDK4 (0.43) CYP1A2HSD17B10GRIK1GRIK2GRIK3
SCHEMBL3245574 0.83 NPC1 (0.43) CYP1A2HSD17B10GRIK1GRIK2GRIK3

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-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