SCHEMBL5147495

SCHEMBL5147495

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3ccc(S(=O)(=O)c4ccccn4)s3)n2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LOX P28300 1/20 0.35
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2986572 0.87 MAOA (0.35) MAOAMAOBLOX
SCHEMBL5147484 0.85 SMN1; SMN2 (0.37) ALDH1A1LMNAMAPK1HTT
SCHEMBL5149061 0.85 PLA2G7 (0.38) ALDH1A1
SCHEMBL5183961 0.84 BRAF (0.34) ALDH1A1
SCHEMBL5146079 0.81 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HTT
SCHEMBL5149221 0.80 ALDH1A1 (0.39) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL5147380 0.79 ALDH1A1 (0.40) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL2989836 0.76 LOXL2 (0.30)
SCHEMBL5179917 0.76 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HTT
SCHEMBL5147360 0.76 CYP2A6 (0.35) ALDH1A1HTT

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