SCHEMBL5147377

SCHEMBL5147377

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cc4c(s3)CCNC4)n2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 6/20 0.33
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PNMT P11086 2/20 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
SCHEMBL2985296 0.86 PARP1 (0.33) PARP1PARP2KCNH2PNMT
SCHEMBL5149183 0.84 ALDH1A1 (0.32) ALOX15ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5179917 0.81 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL5147297 0.80 ALDH1A1 (0.34) ALOX15ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5147462 0.79 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL5147380 0.79 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL5147364 0.78 ALDH1A1 (0.34) ALOX15ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5146079 0.77 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL5147360 0.77 CYP2A6 (0.35) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL5145889 0.77 ALDH1A1 (0.35) ALOX15ALDH1A1LMNASMN1; SMN2HTT

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