SCHEMBL3250318

SCHEMBL3250318

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(C#CCN4CCOCC4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.45
GAA P10253 2/20 0.38
GRIN1 Q05586 4/20 0.38
PRKAB2 O43741 3/20 0.37
PRKAG1 P54619 3/20 0.37
PRKAA2 P54646 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAG3 Q9UGI9 3/20 0.37
PRKAG2 Q9UGJ0 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
MAPK14 Q16539 2/20 0.37
PARP1 P09874 1/20 0.37
ALK Q9UM73 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL3251726 0.88 KDM4E (0.39) MMP13GAAGRIN1POLBKDM4E
SCHEMBL4159597 0.86 MMP13 (0.41) MMP13GAAGRIN1MAPK14PARP1
SCHEMBL3250039 0.80 PARP1 (0.54) GAAPARP1POLBMAPTKDM4E
Propionic Acid SCHEMBL4159601 0.79 MMP13 (0.42) MMP13GAAGRIN1ALKPOLB
SCHEMBL3245806 0.79 TBK1 (0.43) KDM4EHSD17B10ALDH1A1
SCHEMBL3249100 0.78 HNF4A (0.44) PARP1KDM4EHSD17B10ALDH1A1
SCHEMBL3248945 0.77 GABRA1 (0.42) GAAPARP1POLBKDM4EHSD17B10
SCHEMBL3252127 0.75 CYP1A2 (0.42) GAAPARP1POLBKDM4EHSD17B10
SCHEMBL3251244 0.75 GAA (0.70) GAAPOLBMAPTKDM4EHSD17B10
SCHEMBL3248798 0.74 PIKFYVE (0.39) ALKKDM4EHSD17B10ALDH1A1

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