SCHEMBL8218786

SCHEMBL8218786

CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.53
MTOR P42345 3/20 0.53
PIK3CD O00329 4/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPT P10636 1/20 0.47
EPHX2 P34913 2/20 0.47
KDR P35968 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ3 P48549 1/20 0.43
KIF11 P52732 1/20 0.42

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
SCHEMBL8215041 0.88 PIK3CA (0.66) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8205071 0.87 PIK3CA (0.54) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8218782 0.87 PIK3CA (0.54) PIK3CAMTORPIK3CDCA2CA9
SCHEMBL8215433 0.86 MTOR (0.49) PIK3CAMTORCA12CA1CA2
SCHEMBL8216901 0.86 PIK3CA (0.53) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8215047 0.85 PIK3CA (0.55) PIK3CAMTORPIK3CDCA2MAPT
SCHEMBL8216900 0.85 PIK3CA (0.50) PIK3CAMTORPIK3CDMAPTKDR
SCHEMBL8216854 0.85 PIK3CA (0.52) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8103980 0.84 PIK3CA (0.47) PIK3CAMTORPIK3CDCA1CA2
SCHEMBL8214218 0.84 PIK3CA (0.66) PIK3CAMTORPIK3CDKDR

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