SCHEMBL8096684

SCHEMBL8096684

Nc1cc(C2(S(=O)(=O)c3ccccc3F)CC2)nc(-c2ccc(NC(=O)NCC3(O)CC3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.39
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CD O00329 4/20 0.36
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
MAPT P10636 1/20 0.35
SGK1 O00141 3/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 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
SCHEMBL8084961 0.91 NAMPT (0.41) NAMPTPIK3CAPIK3CDMAPT
SCHEMBL8095173 0.90 NAMPT (0.39) NAMPTPIK3CAPIK3R1PIK3CDMAPT
SCHEMBL8091502 0.89 NAMPT (0.39) NAMPTPIK3CAPIK3R1PIK3CDMAPT
SCHEMBL8100826 0.88 NAMPT (0.40) NAMPTPIK3CAPIK3CDMAPT
SCHEMBL8083416 0.87 PIK3R1 (0.39) NAMPTPIK3CAPIK3R1ALOX5APFEN1
SCHEMBL3925717 0.81 PIK3CA (0.55) PIK3CAPIK3R1PIK3CD
SCHEMBL8104327 0.81 NAMPT (0.39) NAMPTPIK3CAPIK3CD
SCHEMBL8090580 0.81 NAMPT (0.39) NAMPTPIK3CAPIK3CDSGK1
SCHEMBL8100133 0.81 NAMPT (0.41) NAMPTPIK3CAPIK3CDMAPT
SCHEMBL8090837 0.80 MTOR (0.38) NAMPTPIK3CAPIK3CDMAPTROCK2

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