SCHEMBL12166240

SCHEMBL12166240

O=Cc1cc2nc(O)nc(N3CCOCC3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.51
PIK3R1 P27986 12/20 0.51
MTOR P42345 9/20 0.46
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
SYK P43405 1/20 0.41
MAP3K9 P80192 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL189813 0.85 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL13298749 0.84 PIK3CA (0.48) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL13059936 0.84 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL17834706 0.75 PIK3CA (0.41) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL29959326 0.75 PIK3CA (0.41) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL25392299 0.74 ALDH3A1 (0.45) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL26079024 0.73 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2674625 0.73 PIK3CD (0.62) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31290054 0.72 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2673903 0.72 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed