SCHEMBL3250776

SCHEMBL3250776

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(Sc4ccccc4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PBRM1 Q86U86 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MCL1 Q07820 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34

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
SCHEMBL3249253 0.90 PLA2G1B (0.37) PLA2G1BATG4BKDM4ECYP1A2HSD17B10
SCHEMBL3249866 0.86 CHEK1 (0.41) KDM4ECYP1A2HSD17B10MAOAMAOB
SCHEMBL3241804 0.86 KDR (0.44) KDM4EMAOAMEN1KMT2A
SCHEMBL3253148 0.85 TUBB4A (0.47) KDM4ECYP1A2TDP1TUBB4ATUBB
SCHEMBL3244477 0.84 DAO (0.44) KDM4ECYP1A2HSD17B10PARP1CSNK2A2
SCHEMBL3241779 0.82 CYP1A2 (0.40) KDM4ECYP1A2HSD17B10PARP1CSNK2A2
SCHEMBL3249304 0.81 NR4A2 (0.48) KDM4ECYP1A2HSD17B10PARP1CSNK2A2
SCHEMBL4162076 0.81 MEN1 (0.44) PLA2G1BATG4BKDM4EPARP1MEN1
SCHEMBL3247782 0.81 KDM4E (0.54) KDM4ECYP1A2HSD17B10PARP1CSNK2A2
SCHEMBL3244728 0.80 KDM4E (0.41) KDM4ECYP1A2HSD17B10PARP1CSNK2A2

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-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