SCHEMBL8206733

SCHEMBL8206733

CC(C)(c1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1)S(=O)(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.44
MTOR P42345 10/20 0.44
PIK3CG P48736 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CD O00329 5/20 0.43
PIK3CB P42338 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3R1 P27986 2/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3592350 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL11898328 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL8212984 0.87 PIK3CA (0.48) PIK3CAMTORPIK3CGNPSR1PIK3CD
SCHEMBL3929968 0.82 ATR (0.55) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL3606393 0.79 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL3595305 0.78 MTOR (0.70) PIK3CAMTORPIK3CDCYP2C9
SCHEMBL3599055 0.77 PIK3CA (0.61) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL3602107 0.77 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL13257087 0.77 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3588303 0.77 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed