SCHEMBL3653370

SCHEMBL3653370

COC1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(-c4ccc(NC(=O)O)cc4)nc32)CC1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.85
MTOR P42345 20/20 0.85
PIK3CB P42338 1/20 0.66
PIK3CD O00329 1/20 0.63
PIK3R1 P27986 1/20 0.63
SMG1 Q96Q15 1/20 0.63

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
SCHEMBL55927 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55527 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL56122 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55928 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL56123 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55193 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55168 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55190 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55169 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL55189 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CBPIK3CDPIK3R1

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-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed