SCHEMBL1543487

SCHEMBL1543487

CN(C)c1cc(-c2ccc3nccc(N4CCN(CCc5ccccc5)CC4)c3c2)cnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.53
PIK3CD O00329 2/20 0.45
PIK3CB P42338 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CG P48736 2/20 0.45
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 3/20 0.41
ALK Q9UM73 1/20 0.41
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PRKDC P78527 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
RAD52 P43351 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL1543899 0.82 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543486 0.81 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543738 0.80 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543346 0.77 PIK3CA (0.87) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1543929 0.72 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL27470939 0.69 CYP3A4 (0.57) PIK3CAKCNH2CYP3A4CHRM1DRD3
SCHEMBL1543335 0.69 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL27666325 0.68 KCNH2 (0.73) CYP2C9KCNH2CYP3A4CHRM1DRD3
SCHEMBL1543905 0.66 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1544491 0.65 NPC1 (0.57) PIK3CAPIK3CDHSP90AA1HSP90AB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO claimed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed