SCHEMBL3249264

SCHEMBL3249264

CCOC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GRK2 P25098 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
BRAF P15056 2/20 0.39
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL3244575 0.93 POLB (0.42) POLBKDM4ETDP1L3MBTL1GRK2
SCHEMBL4157985 0.87 KDM4E (0.39) POLBKDM4ETDP1L3MBTL1CYP2C9
SCHEMBL3251387 0.86 POLB (0.40) POLBKDM4ETDP1L3MBTL1GRK2
SCHEMBL3250608 0.82 BRAF (0.53) POLBKDM4ETDP1L3MBTL1HSD17B10
SCHEMBL3249998 0.81 POLB (0.47) POLBKDM4ETDP1L3MBTL1HSD17B10
Propionic Acid SCHEMBL4157991 0.81 BRAF (0.43) POLBKDM4ETDP1L3MBTL1BRAF
SCHEMBL3245998 0.81 KDM4E (0.41) POLBKDM4ETDP1L3MBTL1HSD17B10
SCHEMBL3248371 0.81 MEN1 (0.59) POLBKDM4ETDP1HSD17B10MEN1
SCHEMBL3252130 0.81 TAS2R14 (0.50) POLBKDM4ETDP1L3MBTL1PTPN11
SCHEMBL3249820 0.80 BRAF (0.49) POLBKDM4ETDP1L3MBTL1HSD17B10

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