SCHEMBL8094263

SCHEMBL8094263

Nc1cc(C2(S(=O)(=O)c3ccccc3Cl)CC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.40
PIK3CD O00329 7/20 0.40
MTOR P42345 4/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
NAMPT P43490 6/20 0.39
CNR1 P21554 1/20 0.37
SGK1 O00141 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL8098751 0.88 MTOR (0.40) PIK3CAPIK3CDMTORPIK3CGNAMPT
SCHEMBL8090786 0.87 SGK1 (0.37) MTORNAMPTSGK1
SCHEMBL8098775 0.86 CA1 (0.43) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8092406 0.84 PIK3CA (0.41) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8084013 0.84 PIK3CA (0.41) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8083027 0.84 PIK3CA (0.38) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8090241 0.83 NAMPT (0.43) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8095173 0.83 NAMPT (0.39) PIK3CAPIK3CDMTORNAMPTSGK1
SCHEMBL8082005 0.83 PIK3CA (0.41) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8083986 0.83 CA2 (0.39) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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