SCHEMBL5147497

SCHEMBL5147497

CC1(C)NC(=O)N(CCNc2nccc(-c3ccc(Cc4ccccc4)s3)n2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 3/20 0.41
CDK2 P24941 2/20 0.39
CLK1 P49759 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CDC7 O00311 1/20 0.36
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR5A P47898 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
SCHEMBL5147444 0.92 AKT3 (0.43) AKT3CDK2CLK1ALDH1A1HSD17B10
SCHEMBL5147310 0.86 AKT3 (0.36) AKT3CDK2CLK1ALDH1A1MAPK1
SCHEMBL2980883 0.86 AKT3 (0.41) AKT3CDK2CLK1MAPK1CDC7
SCHEMBL5149221 0.86 ALDH1A1 (0.39) CDK2CLK1ALDH1A1HSD17B10LMNA
SCHEMBL5181846 0.84 AKT3 (0.37) AKT3CDK2CLK1ALDH1A1LMNA
SCHEMBL5147312 0.84 IKBKB (0.42) AKT3CDK2CLK1ALDH1A1LMNA
SCHEMBL5147384 0.82 ALDH1A1 (0.38) AKT3CDK2CLK1ALDH1A1LMNA
SCHEMBL5147468 0.82 SMN1; SMN2 (0.40) AKT3CDK2CLK1ALDH1A1LMNA
SCHEMBL5147268 0.82 CDK2 (0.37) AKT3CDK2CLK1ALDH1A1LMNA
SCHEMBL5147359 0.80 ALDH1A1 (0.45) CDK2CLK1ALDH1A1HSD17B10LMNA

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