SCHEMBL8089920

SCHEMBL8089920

CC(C)(CO)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4cc(F)cc(F)c4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.39
PIK3CA P42336 6/20 0.39
POLB P06746 1/20 0.37
MTOR P42345 2/20 0.36
NAMPT P43490 5/20 0.34
MAP4K4 O95819 1/20 0.34
KIF18A Q8NI77 1/20 0.33
JAK2 O60674 1/20 0.33
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL8095724 0.93 PIK3CA (0.39) PIK3CDPIK3CAPOLBMTORNAMPT
SCHEMBL8093158 0.90 PIK3CA (0.38) PIK3CDPIK3CAPOLBMTORNAMPT
SCHEMBL8096233 0.90 PIK3CD (0.40) PIK3CDPIK3CAPOLBNAMPT
SCHEMBL8098248 0.89 PIK3CD (0.39) PIK3CDPIK3CAPOLBNAMPT
SCHEMBL8090187 0.87 PIK3CD (0.42) PIK3CDPIK3CAPOLBMTORJAK2
SCHEMBL8089917 0.87 PIK3CA (0.39) PIK3CDPIK3CAMTORNAMPTPIK3CG
SCHEMBL8082658 0.87 PIK3CD (0.39) PIK3CDPIK3CAPOLBNAMPTKIF18A
SCHEMBL8096026 0.86 POLB (0.40) PIK3CDPIK3CAPOLBMTORJAK2
SCHEMBL8082005 0.85 PIK3CA (0.41) PIK3CDPIK3CAMTORNAMPTPIK3CB
SCHEMBL8089000 0.85 PIK3CD (0.40) PIK3CDPIK3CAMTORNAMPT

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