SCHEMBL8219083

SCHEMBL8219083

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
IGF1R P08069 1/20 0.39
DDX3X O00571 2/20 0.38
KMT2A Q03164 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
KDR P35968 2/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
MAPT P10636 1/20 0.36
CA7 P43166 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11926888 0.91 KIF11 (0.43) NAMPTIGF1R
SCHEMBL8215290 0.90 PIK3CD (0.46) NAMPTPIK3CAMTORPIK3CGIGF1R
SCHEMBL8219081 0.89 NAMPT (0.43) NAMPTPIK3CAMTORIGF1RDDX3X
SCHEMBL8217609 0.87 PTGS2 (0.41) IGF1RCA1CA2CA9CA12
SCHEMBL8215294 0.86 NAMPT (0.42) NAMPTPIK3CAMTORPIK3CGDDX3X
SCHEMBL8205334 0.83 PIK3CA (0.41) NAMPTPIK3CAMTORPIK3CGKMT2A
SCHEMBL8215440 0.83 KMT2A (0.43) NAMPTPIK3CAMTORPIK3CGKMT2A
SCHEMBL8204669 0.82 KMT2A (0.45) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8214220 0.82 PIK3CA (0.48) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8214031 0.81 ALDH1A1 (0.46) PIK3CAMTORPIK3CGKMT2ACA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed