SCHEMBL8218892

SCHEMBL8218892

Nc1cc(CS(=O)(=O)c2ccc(F)cc2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
RECQL P46063 1/20 0.42
CA4 P22748 3/20 0.42
CA7 P43166 3/20 0.42
EPHX2 P34913 7/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8212559 0.91 MEN1 (0.46) PIK3CAMTORRAB9AEPHX1MEN1
SCHEMBL8214595 0.89 CA12 (0.43) PIK3CAMTORNPC1RAB9AEPHX1
SCHEMBL8213355 0.87 EPHX1 (0.48) NPC1RAB9AEPHX1MEN1KMT2A
SCHEMBL8218182 0.87 PIK3CA (0.51) PIK3CAMTORNPC1RAB9AMEN1
SCHEMBL8212640 0.85 PIK3CA (0.51) PIK3CAMTORNPC1RAB9AEPHX1
SCHEMBL8219760 0.85 PIK3CA (0.51) PIK3CAMTORMEN1KMT2ACA12
SCHEMBL8211599 0.84 PIK3CA (0.49) PIK3CAMTORCA12CA1CA2
SCHEMBL8215433 0.84 MTOR (0.49) PIK3CAMTORMEN1KMT2ASMN1; SMN2
SCHEMBL8211601 0.83 PIK3CA (0.48) PIK3CAMTORMEN1KMT2ACA12
SCHEMBL8212607 0.83 ATR (0.45) PIK3CAMTORMEN1KMT2AEPHX2

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