SCHEMBL8213175

SCHEMBL8213175

CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)Nc3ccon3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.51
MTOR P42345 5/20 0.51
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
PIK3CD O00329 6/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8205222 0.86 ALDH1A1 (0.53) PIK3CAMTORRAB9ANPC1PIK3CD
SCHEMBL11926810 0.86 PIK3CA (0.49) PIK3CAMTORRAB9APOLBNPC1
SCHEMBL8205071 0.84 PIK3CA (0.54) PIK3CAMTORPOLBPIK3CDKMT2A
SCHEMBL8218782 0.84 PIK3CA (0.54) PIK3CAMTORRAB9APOLBNPC1
SCHEMBL8215041 0.83 PIK3CA (0.66) PIK3CAMTORRAB9ANPC1PIK3CD
SCHEMBL8216901 0.83 PIK3CA (0.53) PIK3CAMTORRAB9ANPC1PIK3CD
SCHEMBL3598143 0.83 MTOR (0.77) PIK3CAMTORPOLBPIK3CD
SCHEMBL8215047 0.82 PIK3CA (0.55) PIK3CAMTORPIK3CDKMT2AMEN1
SCHEMBL8222525 0.82 RAB9A (0.48) PIK3CAMTORRAB9APOLBNPC1
SCHEMBL8216854 0.82 PIK3CA (0.52) PIK3CAMTORPIK3CDKMT2AMEN1

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