SCHEMBL109125

SCHEMBL109125

CC(C)COC(=O)N1CCN(Cc2cnc(-c3cc(Cl)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
HTR6 P50406 3/20 0.35
GPR119 Q8TDV5 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A15 Q9H2J7 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KIT P10721 1/20 0.34
ATM Q13315 1/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL661574 0.88 CCNK (0.39) HTR6PIK3CA
SCHEMBL19221842 0.82 HTR6 (0.38) KMT2AHTR6ALDH1A1KDM4EPIK3CD
SCHEMBL657902 0.79 PIK3CD (0.41) HTR6ALDH1A1KDM4EPIK3CDPIK3CA
SCHEMBL15049938 0.79 PIK3CD (0.41) HTR6ALDH1A1KDM4EPIK3CDPIK3CA
SCHEMBL660444 0.79 PIK3CD (0.41) HTR6ALDH1A1KDM4EPIK3CDPIK3CA
SCHEMBL27933961 0.78 HTR6 (0.36) HTR6ALDH1A1NPSR1PTGDR2
SCHEMBL110755 0.78 HTR6 (0.39) HTR6ALDH1A1NPSR1
SCHEMBL10280769 0.78 CNR2 (0.36) HTR6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL456984 0.76 HTR6 (0.37) HTR6ALDH1A1NPSR1
SCHEMBL109862 0.76 ALDH1A1 (0.42) KMT2AALDH1A1NPSR1TSHR

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-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
EP-2424864-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125082-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed