SCHEMBL8215290

SCHEMBL8215290

CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)c3ccccc3C(F)(F)F)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.46
PIK3CA P42336 5/20 0.46
NAMPT P43490 4/20 0.44
MTOR P42345 2/20 0.43
PIK3CG P48736 1/20 0.43
DDX3X O00571 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
FGFR3 P22607 2/20 0.39
KDR P35968 2/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL8219081 0.91 NAMPT (0.43) PIK3CDPIK3CANAMPTMTORDDX3X
SCHEMBL8219083 0.90 NAMPT (0.40) PIK3CDPIK3CANAMPTMTORPIK3CG
SCHEMBL8215294 0.89 NAMPT (0.42) PIK3CANAMPTMTORPIK3CGDDX3X
SCHEMBL11926888 0.88 KIF11 (0.43) NAMPTIGF1R
SCHEMBL8217609 0.85 PTGS2 (0.41) RAB9AIGF1R
SCHEMBL8205332 0.84 PIK3CD (0.48) PIK3CDPIK3CANAMPTMTORPIK3CG
SCHEMBL8205299 0.84 PIK3CD (0.48) PIK3CDPIK3CANAMPTMTORPIK3CG
SCHEMBL8214526 0.83 PIK3CD (0.61) PIK3CDPIK3CAMTORPIK3CGGHSR
SCHEMBL8213062 0.82 PIK3CD (0.49) PIK3CDPIK3CANAMPTMTORPIK3CG
SCHEMBL3594865 0.80 PIK3CA (0.76) PIK3CDPIK3CAMTOR

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed