SCHEMBL8093138

SCHEMBL8093138

Nc1cc(C2(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.40
PIK3CA P42336 6/20 0.40
MTOR P42345 3/20 0.40
PIK3CD O00329 7/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
ACR P10323 1/20 0.34

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
SCHEMBL8090705 0.93 NAMPT (0.40) NAMPTPIK3CAMTORPIK3CDCA12
SCHEMBL8093959 0.92 PIK3CA (0.38) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL8082005 0.90 PIK3CA (0.41) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL8098775 0.90 CA1 (0.43) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL8089216 0.89 NAMPT (0.41) NAMPTPIK3CAMTORPIK3CD
SCHEMBL8100146 0.88 CA1 (0.41) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL8097712 0.88 KMT2A (0.39) NAMPTPIK3CAMTORPIK3CDPIK3CG
SCHEMBL8090241 0.87 NAMPT (0.43) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL8084982 0.87 KIF11 (0.38) NAMPTCA12CA1CA2CA9
SCHEMBL8090391 0.86 CA1 (0.41) NAMPTPIK3CAMTORPIK3CDCA12

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