SCHEMBL3248945

SCHEMBL3248945

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.42
GABRG2 P18507 5/20 0.42
GABRB3 P28472 5/20 0.42
GABRA3 P34903 5/20 0.42
GABRA2 P47869 5/20 0.42
GABRA5 P31644 3/20 0.42
GABRA6 Q16445 2/20 0.42
GABRA4 P48169 2/20 0.42
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
FASN P49327 1/20 0.32
TET2 Q6N021 1/20 0.32
TET1 Q8NFU7 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL3248916 0.86 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3249100 0.85 HNF4A (0.44) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3248798 0.83 PIKFYVE (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3252127 0.82 CYP1A2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3254573 0.82 HAO1 (0.41) TET2TET1POLBTDP1
SCHEMBL4160259 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3245806 0.82 TBK1 (0.43) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3245150 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3250318 0.77 MMP13 (0.45) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL3247723 0.76 FASN (0.42) CYP1A2HSD17B10FASN

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