SCHEMBL3248798

SCHEMBL3248798

CC(C)(O)C#Cc1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.39
TTBK1 Q5TCY1 3/20 0.39
PDE2A O00408 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
MAP3K14 Q99558 4/20 0.36
HAO1 Q9UJM8 2/20 0.36
PAK4 O96013 1/20 0.36
PRKX P51817 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TSSK3 Q96PN8 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
PAK6 Q9NQU5 1/20 0.36
PAK5 Q9P286 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
SCHEMBL3243094 0.86 GABRA1 (0.41) PDE2ACYP1A2HSD17B10GABRA1GABRG2
SCHEMBL3249100 0.84 HNF4A (0.44) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3248945 0.83 GABRA1 (0.42) CYP1A2HSD17B10GABRA1GABRG2GABRB3
SCHEMBL4162287 0.83 HPGD (0.38) PIKFYVETTBK1PDE2AGABRA1GABRG2
SCHEMBL3252127 0.82 CYP1A2 (0.42) CYP1A2HSD17B10GABRA1GABRG2GABRB3
SCHEMBL3245806 0.81 TBK1 (0.43) PIKFYVECYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL3254573 0.77 HAO1 (0.41) HAO1
SCHEMBL3242861 0.76 HSD17B10 (0.38) CYP1A2HSD17B10GABRA1GABRA3KDM4E
SCHEMBL3247723 0.76 FASN (0.42) CYP1A2HSD17B10
SCHEMBL3245050 0.76 PARP1 (0.44) CYP1A2HSD17B10L3MBTL1KDM4EALDH1A1

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