SCHEMBL5147444

SCHEMBL5147444

CC1(C)NC(=O)N(CCNc2nccc(-c3ccc(CCc4ccccc4)s3)n2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 2/20 0.43
CDK2 P24941 2/20 0.39
CLK1 P49759 1/20 0.39
HTR7 P34969 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL5147497 0.92 AKT3 (0.41) AKT3CDK2CLK1HTR7ADRA2B
SCHEMBL2990318 0.86 AKT3 (0.42) AKT3CDK2CLK1HTR7ADRA2B
SCHEMBL5147310 0.85 AKT3 (0.36) AKT3CDK2CLK1ALDH1A1MKNK1
SCHEMBL5181846 0.83 AKT3 (0.37) AKT3CDK2CLK1ALDH1A1MKNK1
SCHEMBL5147312 0.83 IKBKB (0.42) AKT3CDK2CLK1ALDH1A1MKNK1
SCHEMBL5147384 0.81 ALDH1A1 (0.38) AKT3CDK2CLK1ALDH1A1TSHR
SCHEMBL5147268 0.81 CDK2 (0.37) AKT3CDK2CLK1ALDH1A1MKNK1
SCHEMBL5147468 0.81 SMN1; SMN2 (0.40) AKT3CDK2CLK1ALDH1A1MAPK1
SCHEMBL5147359 0.79 ALDH1A1 (0.45) CDK2CLK1CDK9HSD17B10ALDH1A1
SCHEMBL5148412 0.79 ALDH1A1 (0.37) AKT3CDK2CLK1ALDH1A1TSHR

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