SCHEMBL3983804

SCHEMBL3983804

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

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.75
MTOR P42345 20/20 0.75
PIK3CG P48736 6/20 0.71
ATR Q13535 5/20 0.71
RICTOR Q6R327 1/20 0.68
RPTOR Q8N122 1/20 0.68
MAPKAP1 Q9BPZ7 1/20 0.68
MLST8 Q9BVC4 1/20 0.68

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
SCHEMBL3989279 0.94 PIK3CA (0.71) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3916853 0.92 PIK3CA (0.84) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3991947 0.91 PIK3CA (0.87) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3991734 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CGATR
SCHEMBL3915641 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3925196 0.90 PIK3CA (0.74) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3993046 0.89 PIK3CA (0.73) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3985134 0.89 PIK3CA (0.71) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL4996517 0.89 PIK3CA (0.83) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3992157 0.89 PIK3CA (0.85) PIK3CAMTORPIK3CGATR

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 disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed