SCHEMBL3134035

SCHEMBL3134035

CCOC(=O)c1cn(C2CC2)c2c(N)c(N)c(F)cc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.61
KCNH2 Q12809 4/20 0.50
TOP2A P11388 5/20 0.48
TOP2B Q02880 5/20 0.48
STAT3 P40763 1/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL9693055 0.94 ADRB2 (0.65) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL27442162 0.91 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL30944906 0.91 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL25669900 0.90 ADRB2 (0.58) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL2844967 0.89 ADRB2 (0.68) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL29492858 0.89 ADRB2 (0.68) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL10627001 0.87 ADRB2 (0.66) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL143605 0.87 ADRB2 (0.64) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL115991 0.86 ADRB2 (0.62) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7599453 0.86 ADRB2 (0.65) ADRB2KCNH2TOP2ATOP2BSTAT3

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-2128160-B1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents UNIV DUISBURG ESSEN (DE) 2010-07-14 EP claimed
EP-2128160-A1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents Universität Duisburg-Essen (DE) 2009-12-02 EP claimed
EP-2128160-B1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents UNIV DUISBURG ESSEN (DE) 2010-07-14 EP disclosed
EP-2128160-A1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents Universität Duisburg-Essen (DE) 2009-12-02 EP disclosed