SCHEMBL3923596

SCHEMBL3923596

Cc1csc(S(=O)(=O)C2CC2c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.50
MTOR P42345 15/20 0.50
PIK3CD O00329 6/20 0.49
PIK3CG P48736 5/20 0.42
PIK3CB P42338 1/20 0.40

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
SCHEMBL3934294 0.93 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3935222 0.92 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3935715 0.91 MTOR (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3926690 0.87 MTOR (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3927064 0.85 MTOR (0.55) PIK3CAMTORPIK3CD
SCHEMBL3924111 0.85 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3929252 0.84 PIK3CA (0.62) PIK3CAMTORPIK3CD
SCHEMBL3926488 0.84 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3926434 0.83 MTOR (0.53) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3926913 0.83 PIK3CA (0.53) PIK3CAMTORPIK3CD

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-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed