SCHEMBL12166409

SCHEMBL12166409

Cc1nc2cc(-c3nc(N)c4cc(CN5CCN(C(=O)[C@H](C)O)CC5)sc4n3)cnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
PIK3CB P42338 4/20 0.46
ADORA2A P29274 13/20 0.43
PIK3CD O00329 4/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 2/20 0.43
PIK3C2A O00443 1/20 0.43
PIK3C2B O00750 1/20 0.43
STK10 O94804 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
FGR P09769 1/20 0.43
FER P16591 1/20 0.43
PRKCA P17252 1/20 0.43
JAK1 P23458 1/20 0.43
TEC P42680 1/20 0.43
SYK P43405 1/20 0.43
PRKDC P78527 1/20 0.43
MAP3K9 P80192 1/20 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
SCHEMBL190854 0.87 PIK3CA (0.60) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL190853 0.87 PIK3CA (0.60) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL4072798 0.74 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1180695 0.74 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1181496 0.74 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1180698 0.74 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL189797 0.73 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL190630 0.73 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1181130 0.72 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1181134 0.72 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDMTORPIK3CG

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