SCHEMBL4558235

SCHEMBL4558235

COc1ncc(-c2cc(NC(=O)c3csc(CN4CC(C)OC(C)C4)n3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1cn[nH]c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.57
PIK3CA P42336 14/20 0.53
PIK3CB P42338 10/20 0.53
PIK3CG P48736 10/20 0.53
PIK3R2 O00459 1/20 0.53
PIK3R1 P27986 9/20 0.43

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
SCHEMBL1771996 1.00 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1772235 0.92 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771530 0.92 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1772490 0.91 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL456954 0.91 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13578003 0.91 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1772156 0.91 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771473 0.90 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1118655 0.90 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771444 0.90 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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