SCHEMBL8091710

SCHEMBL8091710

Cc1ccc(S(=O)(=O)C2(c3cc(N)nc(-c4ccc(NC(=O)NCCF)cc4)n3)CC2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.36
PIK3CA P42336 8/20 0.36
MTOR P42345 8/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
NAMPT P43490 2/20 0.34
SGK1 O00141 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
HPSE Q9Y251 1/20 0.33

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
SCHEMBL8099632 0.88 CA1 (0.42) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8104327 0.86 NAMPT (0.39) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8100136 0.85 NAMPT (0.41) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8100133 0.85 NAMPT (0.41) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8091538 0.84 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8095173 0.84 NAMPT (0.39) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8084009 0.83 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090580 0.83 NAMPT (0.39) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8091717 0.82 CA2 (0.40) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8094263 0.82 PIK3CA (0.40) PIK3CDPIK3CAMTORCA12CA1

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