SCHEMBL189254

SCHEMBL189254

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
MAPT P10636 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PIK3CD O00329 4/20 0.58
PIK3CA P42336 3/20 0.58
PIK3CB P42338 2/20 0.58
PIK3CG P48736 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
MCL1 Q07820 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL188908 0.95 MEN1 (0.68) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188992 0.91 MEN1 (0.70) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188759 0.89 MEN1 (0.63) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL189230 0.88 PIK3CD (0.63) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL12373063 0.88 MAPT (0.66) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188640 0.87 PIK3CD (0.69) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL185689 0.86 MAPT (0.69) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL1791272 0.85 MEN1 (0.76) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL189621 0.84 MEN1 (0.66) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL189302 0.83 MAPT (0.65) MEN1KMT2AMAPTL3MBTL1PIK3CD

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-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP disclosed