SCHEMBL8091191

SCHEMBL8091191

Nc1cc(C2(S(=O)(=O)c3ccccc3)CCOCC2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.40
MTOR P42345 9/20 0.40
PIK3CG P48736 4/20 0.40
PIK3CD O00329 7/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ATR Q13535 3/20 0.37
RICTOR Q6R327 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37

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
SCHEMBL8090948 0.92 CA12 (0.41) PIK3CAMTORCA12CA1CA2
SCHEMBL8084016 0.92 CA12 (0.41) PIK3CAMTORCA12CA1CA2
SCHEMBL8092374 0.91 PIK3CD (0.39) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8084833 0.91 CA12 (0.43) CA12CA1CA2CA9
SCHEMBL8092188 0.88 PIK3CA (0.45) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8097463 0.88 PIK3CA (0.39) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL8090316 0.86 KDR (0.37) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8099405 0.86 EPHX1 (0.42) PIK3CAMTORCA12CA1CA2
SCHEMBL8092236 0.86 PIK3CA (0.44) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8098812 0.85 NPC1 (0.43) CA12CA1CA2CA9

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed