SCHEMBL8093027

SCHEMBL8093027

Nc1cc(C2(S(=O)(=O)c3ccncc3)CC2)nc(-c2ccc(NC(=O)NC3(CO)CC3)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 1/20 0.34
PIK3CD O00329 4/20 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
SCHEMBL8098832 0.92 MAPT (0.37) NAMPTPIK3CAMTORPIK3CGPIK3CD
SCHEMBL8090241 0.87 NAMPT (0.43) NAMPTPIK3CAMTORPIK3CGPIK3CD
SCHEMBL8099749 0.86 MTOR (0.40) NAMPTPIK3CAMTORPIK3CGPIK3CD
SCHEMBL8092862 0.86 PIK3CD (0.40) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8099744 0.85 NAMPT (0.40) NAMPTPIK3CAMTORPIK3CGPIK3CD
SCHEMBL8090868 0.85 MTOR (0.38) NAMPTPIK3CAMTORPIK3CGPIK3CD
SCHEMBL8098248 0.84 PIK3CD (0.39) NAMPTPIK3CAPIK3CD
SCHEMBL8083655 0.84 NAMPT (0.43) NAMPTPIK3CAPIK3CD
SCHEMBL8099405 0.84 EPHX1 (0.42) NAMPTPIK3CAMTOR
SCHEMBL8084600 0.84 PIK3CD (0.45) PIK3CAMTORPIK3CGPIK3CD

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