SCHEMBL8219081

SCHEMBL8219081

CC(C)(c1cc(N)nc(-c2ccc(NC(=O)NCCO)cc2)n1)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.43
PIK3CA P42336 6/20 0.40
MTOR P42345 1/20 0.40
DDX3X O00571 2/20 0.39
PIK3CD O00329 6/20 0.38
CNR1 P21554 1/20 0.38
KDR P35968 2/20 0.38
FGFR3 P22607 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
IGF1R P08069 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL8215290 0.91 PIK3CD (0.46) NAMPTPIK3CAMTORDDX3XPIK3CD
SCHEMBL8215294 0.91 NAMPT (0.42) NAMPTPIK3CAMTORDDX3XKMT2A
SCHEMBL8219083 0.89 NAMPT (0.40) NAMPTPIK3CAMTORDDX3XPIK3CD
SCHEMBL11926888 0.87 KIF11 (0.43) NAMPTIGF1R
SCHEMBL8217617 0.84 PIK3CA (0.41) NAMPTPIK3CAMTORPIK3CDKDR
SCHEMBL11925440 0.84 CA2 (0.42) NAMPTPIK3CAMTORPIK3CDMEN1
SCHEMBL8213413 0.84 PIK3CA (0.45) NAMPTPIK3CAMTORPIK3CDKDM4E
SCHEMBL8217609 0.83 PTGS2 (0.41) RAB9AIGF1R
SCHEMBL8217050 0.83 NAMPT (0.42) NAMPTPIK3CAMTORPIK3CD
SCHEMBL3588337 0.81 PIK3CA (0.65) PIK3CAMTORPIK3CD

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