SCHEMBL8093145

SCHEMBL8093145

Nc1cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(-c2ccc(NC(=O)NCC(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
NAMPT P43490 8/20 0.38
PIK3CD O00329 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
PIK3CA P42336 2/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
PCTP Q9UKL6 1/20 0.35

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
SCHEMBL8096186 0.92 MAPT (0.41) MAPTNAMPTPIK3CDCA12CA1
SCHEMBL8099965 0.91 NAMPT (0.39) MAPTNAMPTPIK3CDCA12CA1
SCHEMBL8089216 0.91 NAMPT (0.41) NAMPTPIK3CDPIK3CAMTOR
SCHEMBL8098775 0.88 CA1 (0.43) MAPTNAMPTPIK3CDCA12CA1
SCHEMBL8092289 0.86 CA1 (0.41) MAPTNAMPTPIK3CDCA12CA1
SCHEMBL8083924 0.85 PIK3CA (0.44) MAPTNAMPTPIK3CDCA12CA1
SCHEMBL8097426 0.85 NAMPT (0.41) MAPTNAMPTPIK3CDCA12CA1
SCHEMBL8097253 0.85 PIK3CD (0.36) MAPTNAMPTPIK3CDPIK3CAMEN1
SCHEMBL8091502 0.84 NAMPT (0.39) MAPTNAMPTPIK3CDPIK3CA
SCHEMBL8082701 0.83 PIK3CD (0.44) NAMPTPIK3CDPIK3CAMTORPIK3CG

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