SCHEMBL6997212

SCHEMBL6997212

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)c(O)c1)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.65
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
GAA P10253 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
USP2 O75604 1/20 0.60
PKM P14618 1/20 0.60
APAF1 O14727 1/20 0.60
CASP6 P55212 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 10/20 0.58
KDM4E B2RXH2 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL2738213 0.90 CTNNB1 (0.78) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL6997200 0.88 PIK3CD (0.69) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1793914 0.88 L3MBTL1 (0.78) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1788588 0.88 MEN1 (0.68) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL1790526 0.86 MAPT (0.72) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL12292684 0.84 MAPT (0.62) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1789459 0.84 MAPT (0.68) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1792290 0.84 SMN1; SMN2 (0.70) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1792309 0.84 PIK3CD (0.60) CTNNB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1795007 0.83 MAPT (0.72) CTNNB1MEN1KMT2AGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed