SCHEMBL5147371

SCHEMBL5147371

CCc1ccccc1S(=O)(=O)c1ccc(-c2ccnc(NCCN3C(=O)NC(C)(C)C3=O)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.38
ALDH1A1 P00352 8/20 0.33
GAA P10253 2/20 0.33
AKT3 Q9Y243 3/20 0.33
CDK2 P24941 1/20 0.33
CLK1 P49759 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL5148325 0.91 CDK2 (0.35) ALDH1A1GAAAKT3CDK2CLK1
SCHEMBL2975793 0.87 LOXL2 (0.37) LOXL2AKT3CDK2CLK1MAPK1
SCHEMBL5145984 0.83 PLA2G7 (0.41) ALDH1A1AKT3
SCHEMBL5146082 0.80 CDK2 (0.35) ALDH1A1GAAAKT3CDK2CLK1
SCHEMBL5147268 0.80 CDK2 (0.37) ALDH1A1AKT3CDK2CLK1LMNA
SCHEMBL5147312 0.80 IKBKB (0.42) ALDH1A1AKT3CDK2CLK1LMNA
SCHEMBL5147322 0.79 LOXL2 (0.35) LOXL2ALDH1A1AKT3CDK2CLK1
SCHEMBL2980080 0.78 PIK3CA (0.34) ALDH1A1AKT3CDK2CLK1TSHR
SCHEMBL5147468 0.78 SMN1; SMN2 (0.40) ALDH1A1GAAAKT3CDK2CLK1
SCHEMBL5181846 0.78 AKT3 (0.37) ALDH1A1AKT3CDK2CLK1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed