SCHEMBL8089917

SCHEMBL8089917

CNC(=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 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
MTOR P42345 5/20 0.39
PIK3CG P48736 2/20 0.39
KMT2A Q03164 1/20 0.38
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
PIK3CD O00329 7/20 0.36
NAMPT P43490 3/20 0.36
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL8083973 0.93 ALDH1A1 (0.43) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8094619 0.91 PIP4K2A (0.40) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8104053 0.90 CA2 (0.41) PIK3CAMTORPIK3CGPIK3CDNAMPT
SCHEMBL8097966 0.89 KIF11 (0.37) PIK3CAMTORPIK3CGKMT2APIK3CD
SCHEMBL8097712 0.89 KMT2A (0.39) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8092637 0.89 KMT2A (0.42) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8090246 0.89 PIK3CA (0.42) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8089000 0.88 PIK3CD (0.40) PIK3CAMTORKMT2APIK3CDNAMPT
SCHEMBL8104051 0.88 NAMPT (0.38) PIK3CAMTORPIK3CDNAMPT
SCHEMBL8097257 0.88 ALDH1A1 (0.41) PIK3CAMTORPIK3CGKMT2AALDH1A1

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