SCHEMBL8100136

SCHEMBL8100136

Cc1ccc(F)cc1S(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCCF)cc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
PIK3CD O00329 4/20 0.37
PIK3CA P42336 6/20 0.36
MTOR P42345 5/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
IDH1 O75874 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8090580 0.92 NAMPT (0.39) NAMPTPIK3CDPIK3CAMTORCA12
SCHEMBL8100133 0.90 NAMPT (0.41) NAMPTPIK3CDPIK3CAMTORMAPT
SCHEMBL8104327 0.90 NAMPT (0.39) NAMPTPIK3CDPIK3CAMTORCA12
SCHEMBL8084965 0.87 IDO1 (0.39) NAMPTPIK3CAMTORMEN1MAPT
SCHEMBL8095173 0.86 NAMPT (0.39) NAMPTPIK3CDPIK3CAMTORMAPT
SCHEMBL8099632 0.85 CA1 (0.42) NAMPTPIK3CDPIK3CAMTORMEN1
SCHEMBL8091710 0.85 PIK3CD (0.36) NAMPTPIK3CDPIK3CAMTORMEN1
SCHEMBL8091538 0.84 PIK3CD (0.43) PIK3CDPIK3CAMTOR
SCHEMBL8084009 0.84 PIK3CD (0.42) PIK3CDPIK3CAMTOR
SCHEMBL8090837 0.83 MTOR (0.38) NAMPTPIK3CDPIK3CAMTORMAPT

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