SCHEMBL3915641

SCHEMBL3915641

O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)O)CC4)c3n2)cc1)NC1CC1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.84
MTOR P42345 20/20 0.84
PIK3CG P48736 7/20 0.84
ATR Q13535 4/20 0.84
RICTOR Q6R327 1/20 0.68
RPTOR Q8N122 1/20 0.68
MAPKAP1 Q9BPZ7 1/20 0.68
MLST8 Q9BVC4 1/20 0.68
PIK3CB P42338 1/20 0.67

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
SCHEMBL4995095 0.91 PIK3CA (1.00) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL29789935 0.91 PIK3CA (1.00) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3986205 0.91 PIK3CA (0.82) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3916853 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3983804 0.90 PIK3CA (0.75) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3987169 0.89 PIK3CA (0.83) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3986876 0.89 PIK3CA (0.87) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3991734 0.89 PIK3CA (0.84) PIK3CAMTORPIK3CGATR
SCHEMBL3986048 0.89 PIK3CA (1.00) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3989695 0.89 PIK3CA (1.00) PIK3CAMTORPIK3CGATRRICTOR

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-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP claimed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO claimed