SCHEMBL8095724

SCHEMBL8095724

CC(C)(CO)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
MTOR P42345 2/20 0.39
PIK3CD O00329 6/20 0.39
ALDH1A1 P00352 1/20 0.39
NAMPT P43490 3/20 0.37
POLB P06746 1/20 0.37
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
KDM1A O60341 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
PIK3CG P48736 1/20 0.35
IDH2 P48735 1/20 0.35

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
SCHEMBL8093158 0.97 PIK3CA (0.38) PIK3CAMTORPIK3CDALDH1A1NAMPT
SCHEMBL8089920 0.93 PIK3CD (0.39) PIK3CAMTORPIK3CDNAMPTPOLB
SCHEMBL8096233 0.92 PIK3CD (0.40) PIK3CAPIK3CDALDH1A1NAMPTPOLB
SCHEMBL8098248 0.91 PIK3CD (0.39) PIK3CAPIK3CDNAMPTPOLB
SCHEMBL8082658 0.88 PIK3CD (0.39) PIK3CAPIK3CDALDH1A1NAMPTPOLB
SCHEMBL8090187 0.87 PIK3CD (0.42) PIK3CAMTORPIK3CDPOLBPIK3CG
SCHEMBL8083973 0.87 ALDH1A1 (0.43) PIK3CAMTORPIK3CDALDH1A1NAMPT
SCHEMBL8096026 0.86 POLB (0.40) PIK3CAMTORPIK3CDALDH1A1POLB
SCHEMBL8099408 0.85 CA2 (0.42) PIK3CAMTORPIK3CDALDH1A1NAMPT
SCHEMBL8090994 0.84 POLB (0.39) PIK3CAMTORPIK3CDALDH1A1POLB

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