SCHEMBL8205222

SCHEMBL8205222

Cc1cc(NC(=O)Nc2ccc(-c3nc(N)cc(CS(C)(=O)=O)n3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.51
PIK3CA P42336 6/20 0.51
MTOR P42345 3/20 0.51
HSD17B10 Q99714 1/20 0.49
PIK3CD O00329 5/20 0.49
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 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
SCHEMBL11926095 0.87 PIK3CD (0.53) MEN1KMT2AMAPTPIK3CAMTOR
SCHEMBL8218782 0.86 PIK3CA (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8213175 0.86 PIK3CA (0.51) RAB9ANPC1MEN1KMT2APIK3CA
SCHEMBL8216854 0.84 PIK3CA (0.52) MEN1KMT2APIK3CAMTORPIK3CD
SCHEMBL11925398 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL8205071 0.84 PIK3CA (0.54) ALDH1A1MEN1KMT2ACYP2C19MAPT
SCHEMBL8215041 0.83 PIK3CA (0.66) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8216901 0.83 PIK3CA (0.53) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3594850 0.83 PIK3CA (0.77) CYP2C9PIK3CAMTORPIK3CD
SCHEMBL8213915 0.82 PIK3CA (0.49) SMN1; SMN2RAB9ANPC1PIK3CAMTOR

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