SCHEMBL5149221

SCHEMBL5149221

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3ccc(Cc4ccccc4)s3)n2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
LMNA P02545 5/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 3/20 0.34
HTT P42858 2/20 0.34
CDK2 P24941 2/20 0.33
CLK1 P49759 1/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ABL1 P00519 1/20 0.32
USP2 O75604 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.86 AKT3 (0.41) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL2985174 0.85 USP2 (0.32) ALDH1A1LMNATSHRMAPK1HSD17B10
SCHEMBL5146079 0.84 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5147380 0.82 ALDH1A1 (0.40) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL5147417 0.80 ALDH1A1 (0.38) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL5147316 0.80 PLA2G7 (0.39) ALDH1A1LMNATSHRMAPK1HSD17B10
SCHEMBL5147495 0.80 ALDH1A1 (0.36) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL5179917 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5147346 0.78 PSMD14 (0.41) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL5145833 0.78 ALDH1A1 (0.43) ALDH1A1LMNATSHRMAPK1HTT

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 4 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 claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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