SCHEMBL5147293

SCHEMBL5147293

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3sccc3I)n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 4/20 0.33
PLA2G7 Q13093 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FPR2 P25090 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2975764 0.84 AURKA (0.30)
SCHEMBL5147395 0.84 CDK2 (0.38) ALDH1A1SMN1; SMN2HTTPLA2G7KDM4E
SCHEMBL5147369 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5179917 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5146079 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147380 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147462 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL27688635 0.77 QPCT (0.33)
SCHEMBL5145889 0.77 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147360 0.77 CYP2A6 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AHTT

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