SCHEMBL8213009

SCHEMBL8213009

CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)NC3CCOCC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.56
MTOR P42345 10/20 0.56
PIK3CD O00329 6/20 0.56
ATR Q13535 3/20 0.41
PIK3CG P48736 3/20 0.40
RICTOR Q6R327 1/20 0.40
MAPKAP1 Q9BPZ7 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL8212640 0.93 PIK3CA (0.51) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL3588038 0.86 PIK3CA (0.76) PIK3CAMTORPIK3CDATR
SCHEMBL8098212 0.86 PIK3CA (0.53) PIK3CAMTORPIK3CD
SCHEMBL8206186 0.83 RAB9A (0.45) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8205208 0.83 PIK3CA (0.42) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL3606853 0.83 PIK3CA (0.77) PIK3CAMTORPIK3CDATR
SCHEMBL8099387 0.83 PIK3CA (0.52) PIK3CAMTORPIK3CD
SCHEMBL8214242 0.82 CYP3A4 (0.44) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8219567 0.82 PIK3CA (0.42) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL3592636 0.81 PIK3CA (0.74) PIK3CAMTORPIK3CDATR

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