SCHEMBL8085124

SCHEMBL8085124

C[C@H](CO)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4nccs4)CCC3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.35
PIK3CD O00329 8/20 0.34
MAPK1 P28482 1/20 0.33
ROCK2 O75116 1/20 0.33
PIK3CA P42336 8/20 0.32
MAP4K1 Q92918 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MTOR P42345 5/20 0.32

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
SCHEMBL8097954 0.88 MAPK1 (0.33) PIK3CDMAPK1PIK3CAMAP4K1CA12
SCHEMBL8093661 0.87 PIK3CA (0.42) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8098657 0.85 MAPT (0.37) NAMPTPIK3CDROCK2PIK3CACA12
SCHEMBL8098658 0.85 MAPT (0.37) NAMPTPIK3CDROCK2PIK3CACA12
SCHEMBL8091937 0.84 CA12 (0.39) PIK3CDMAPK1ROCK2PIK3CAMAP4K1
SCHEMBL8091845 0.83 PIK3CA (0.38) NAMPTPIK3CDPIK3CACA12CA1
SCHEMBL8092462 0.83 PIK3CA (0.38) NAMPTPIK3CDPIK3CACA12CA1
SCHEMBL4208676 0.83 PIK3CA (0.51) PIK3CDPIK3CAMTOR
SCHEMBL4213926 0.83 PIK3CA (0.51) PIK3CDPIK3CAMTOR
SCHEMBL8089094 0.82 PIK3CD (0.43) PIK3CDROCK2PIK3CACA12CA1

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