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SCHEMBL13577976

SCHEMBL13577976

COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cnn(S(=O)(=O)c4ccc(C)cc4)c3c2)cc1NS(=O)(=O)C1CC=C(F)C=C1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.39
▸ PIK3CA P42336 13/20 0.39
▸ PIK3R1 P27986 10/20 0.39
▸ PIK3CB P42338 8/20 0.39
▸ PIK3CG P48736 8/20 0.39
▸ PIK3R2 O00459 1/20 0.35

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
SCHEMBL1118925 0.87 PIK3CD (0.39) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1118697 0.87 PIK3CA (0.47) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL13578042 0.84 PIK3CD (0.55) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1772516 0.79 PIK3CD (0.51) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1118889 0.78 THRB (0.36) —
SCHEMBL2210199 0.77 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1771817 0.76 PIK3CA (0.51) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2056477 0.73 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1118950 0.73 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1771530 0.73 PIK3CD (0.69) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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