SCHEMBL12166296

SCHEMBL12166296

Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N)nc(-c3cccc4[nH]ncc34)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.55
PARP1 P09874 3/20 0.55
PIK3CD O00329 12/20 0.53
PIK3CB P42338 9/20 0.53
PIK3CG P48736 9/20 0.53
MTOR P42345 8/20 0.53
PIK3C2A O00443 1/20 0.53
PIK3C2B O00750 1/20 0.53
STK10 O94804 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
FGR P09769 1/20 0.53
FER P16591 1/20 0.53
PRKCA P17252 1/20 0.53
JAK1 P23458 1/20 0.53
TEC P42680 1/20 0.53
SYK P43405 1/20 0.53
PRKDC P78527 1/20 0.53
MAP3K9 P80192 1/20 0.53

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
SCHEMBL191468 0.87 PIK3CA (0.70) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL191469 0.87 PIK3CA (0.70) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL12166300 0.73 PIK3CA (0.42) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL190025 0.73 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL189847 0.73 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190325 0.73 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12166271 0.72 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190192 0.72 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190191 0.72 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190537 0.72 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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