SCHEMBL2659559

SCHEMBL2659559

CC(=O)N[C@H]1CCN(Cc2cnc(-c3cc4cccc(NS(=O)(=O)c5sccc5C)c4[nH]3)s2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.36
PIK3CA P42336 6/20 0.36
PIK3CB P42338 6/20 0.36
PIK3CG P48736 6/20 0.36
OGA O60502 4/20 0.36
SCN1A P35498 3/20 0.34
SCN8A Q9UQD0 3/20 0.34
LTA4H P09960 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.34
ROCK2 O75116 1/20 0.34
PDCD1LG2 Q9BQ51 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
Trifluoroacetic Acid SCHEMBL2660194 0.96 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CGOGA
Trifluoroacetic Acid SCHEMBL2660893 0.88 DDR1 (0.35) PIK3CDPIK3CAPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL2660407 0.83 MEN1 (0.40) OGAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2659557 0.81 SLC2A1 (0.33) OGA
SCHEMBL2668777 0.81 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGOGA
Trifluoroacetic Acid SCHEMBL27763028 0.80 PDCD1 (0.34) PIK3CDPIK3CGOGACD274
SCHEMBL9073010 0.80 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGOGA
SCHEMBL2659561 0.80 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGOGA
SCHEMBL2972367 0.80 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGOGA
SCHEMBL13203629 0.78 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGOGA

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
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed