SCHEMBL8095173

SCHEMBL8095173

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.39
PIK3CA P42336 7/20 0.38
MTOR P42345 6/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CD O00329 4/20 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
MAPT P10636 1/20 0.35
HTR3A P46098 1/20 0.35
SGK1 O00141 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
SCHEMBL8104327 0.91 NAMPT (0.39) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8090580 0.91 NAMPT (0.39) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8100133 0.91 NAMPT (0.41) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8090837 0.91 MTOR (0.38) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8096684 0.90 NAMPT (0.39) NAMPTPIK3CAPIK3R1PIK3CDMAPT
SCHEMBL8091502 0.89 NAMPT (0.39) NAMPTPIK3CAPIK3R1PIK3CDMAPT
SCHEMBL8091717 0.89 CA2 (0.40) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8083416 0.87 PIK3R1 (0.39) NAMPTPIK3CAPIK3R1MAPTSGK1
SCHEMBL8090705 0.86 NAMPT (0.40) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8100136 0.86 NAMPT (0.41) NAMPTPIK3CAMTORPIK3CDCA12

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