SCHEMBL3134076

SCHEMBL3134076

CCc1c(C(=O)O)c(=O)c2cc(F)c(N)c(N)c2n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
GSK3B P49841 3/20 0.38
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
PIM3 Q86V86 2/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
TOP2A P11388 6/20 0.36
TOP2B Q02880 6/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKD3 O94806 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DYRK1A Q13627 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
POLB P06746 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
SCHEMBL143606 0.84 KCNH2 (0.40) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL143726 0.84 TOP2A (0.39) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL142409 0.82 GSK3B (0.37) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL143976 0.81 GSK3B (0.36) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL140634 0.81 PIM1 (0.36) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL3337171 0.81 KCNH2 (0.41) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL144443 0.81 GSK3B (0.36) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL7489369 0.81 STAT3 (0.40) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL29023850 0.81 KDM4E (0.41) KCNH2GSK3BPIM1GSK3APIM3
SCHEMBL141817 0.78 TOP2A (0.33) KCNH2GSK3BPIM1GSK3APIM3

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