SCHEMBL8098769

SCHEMBL8098769

CC(C)CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccn4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.39
KDR P35968 2/20 0.39
NPC1 O15118 1/20 0.38
PIK3CD O00329 3/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
PDE4B Q07343 1/20 0.36
CIT O14578 1/20 0.36
ROCK2 O75116 1/20 0.36
ATR Q13535 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL8097714 0.92 NAMPT (0.39) NAMPTNPC1PIK3CDATRCA12
SCHEMBL8091924 0.89 NAMPT (0.39) NAMPTKDRPIK3CDKITATR
SCHEMBL8092294 0.89 ROCK2 (0.39) NAMPTNPC1PIK3CDROCK2ATR
SCHEMBL8096070 0.88 MTOR (0.40) NAMPTPIK3CDATR
SCHEMBL8099812 0.86 NAMPT (0.44) NAMPTKDRPIK3CDCITROCK2
SCHEMBL8092270 0.85 NPC1 (0.43) KDRNPC1KITPDGFRAATR
SCHEMBL8083970 0.85 NAMPT (0.39) NAMPTPIK3CDATRCA12CA1
SCHEMBL8090846 0.85 NAMPT (0.39) NAMPTPIK3CDATRCA12CA1
SCHEMBL8090849 0.85 NAMPT (0.39) NAMPTPIK3CDATRCA12CA1
SCHEMBL8098808 0.85 NAMPT (0.39) NAMPTNPC1PIK3CDATRCA12

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