SCHEMBL8205208

SCHEMBL8205208

CC(C)S(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.42
MTOR P42345 5/20 0.42
PIK3CD O00329 4/20 0.42
POLB P06746 1/20 0.41
KLKB1 P03952 1/20 0.41
EPHX1 P07099 3/20 0.40
EPHX2 P34913 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 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
SCHEMBL8218760 0.93 ATM (0.43) PIK3CAMTORPIK3CDEPHX2
SCHEMBL8212640 0.90 PIK3CA (0.51) PIK3CAMTORPIK3CDKLKB1EPHX1
SCHEMBL8213870 0.87 PIK3CA (0.43) PIK3CAMTORPIK3CD
SCHEMBL11924820 0.86 CA12 (0.45) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8213164 0.85 PIK3CA (0.55) PIK3CAMTORPIK3CD
SCHEMBL11925317 0.84 KIF11 (0.42) PIK3CAMTORPIK3CD
SCHEMBL8219567 0.84 PIK3CA (0.42) PIK3CAMTORPIK3CDKLKB1EPHX1
SCHEMBL8206186 0.84 RAB9A (0.45) PIK3CAMTORPIK3CDPOLBEPHX1
SCHEMBL8218988 0.84 FPR2 (0.39) PIK3CAMTORPIK3CDPOLBEPHX1
SCHEMBL8219487 0.83 PIK3CA (0.40) PIK3CAMTORPIK3CDKLKB1EPHX1

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