SCHEMBL4473895

SCHEMBL4473895

COc1ncc(-c2cc(NC(=O)c3csc(CN4CC(C)OC(C)C4)n3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.56
PIK3CA P42336 11/20 0.52
PIK3CG P48736 8/20 0.52
PIK3CB P42338 7/20 0.52
PIK3R2 O00459 1/20 0.52
MTOR P42345 1/20 0.46
PIK3R1 P27986 6/20 0.43
BRAF P15056 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PIM1 P11309 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL455668 1.00 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771530 0.91 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1772490 0.90 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771718 0.90 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1772235 0.90 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771473 0.89 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL4558235 0.89 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771996 0.89 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771444 0.89 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1772156 0.89 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2

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
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed