SCHEMBL2073010

SCHEMBL2073010

Cc1nc(NC(=O)n2ccnc2)sc1-c1cccc(S(=O)(=O)CF)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.42
PIK3CA P42336 12/20 0.42
PIK3CG P48736 12/20 0.42
PIK3CB P42338 12/20 0.42
XIAP P98170 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CLK1 P49759 1/20 0.39
RAB9A P51151 1/20 0.39
PI4KB Q9UBF8 5/20 0.39

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
SCHEMBL1786172 0.79 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBXIAP
SCHEMBL12991700 0.79 PIK3CG (0.51) PIK3CDPIK3CAPIK3CGPIK3CBXIAP
SCHEMBL1885511 0.79 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBXIAP
SCHEMBL1784761 0.79 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1784745 0.79 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1882046 0.78 PIK3CA (0.43) PIK3CDPIK3CAPIK3CGPIK3CBXIAP
SCHEMBL571452 0.77 PIK3CA (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1787009 0.77 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL13525246 0.77 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1889405 0.77 PIK3CA (0.50) PIK3CDPIK3CAPIK3CGPIK3CBXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed