SCHEMBL2597494

SCHEMBL2597494

CC(C)c1n[nH]c2nc(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)c12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.66
MTOR P42345 18/20 0.66
PIK3CG P48736 11/20 0.66
PIK3R1 P27986 1/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3C2B O00750 1/20 0.51
PIK3C3 Q8NEB9 1/20 0.51

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
SCHEMBL2597590 0.90 MTOR (0.53) PIK3CAMTORPIK3CG
SCHEMBL2597635 0.86 MTOR (0.59) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL32186 0.80 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL32645 0.80 PIK3CA (0.84) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL2597493 0.79 MTOR (0.66) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL2597536 0.79 MTOR (0.66) PIK3CAMTORPIK3CGPIK3R1PIK3CD
Hydrochloric Acid SCHEMBL1409129 0.79 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL32276 0.78 PIK3CA (0.94) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL32434 0.78 PIK3CA (0.90) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL32508 0.78 PIK3CA (0.94) PIK3CAMTORPIK3CGPIK3R1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP claimed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO claimed