SCHEMBL5148399

SCHEMBL5148399

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cnc(CCc4ccc(F)cc4)s3)n2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.39
ALDH1A1 P00352 7/20 0.37
AKT3 Q9Y243 3/20 0.33
NTRK1 P04629 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MEN1 O00255 3/20 0.32
USP2 O75604 3/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
KMT2A Q03164 3/20 0.32
HIF1A Q16665 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HBB P68871 1/20 0.32
GRM2 Q14416 1/20 0.32
HTT P42858 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
SCHEMBL5148401 0.86 USP2 (0.32) ALDH1A1NTRK1MEN1USP2CASP1
SCHEMBL5148346 0.85 PLA2G7 (0.41) PLA2G7ALDH1A1MEN1KMT2AHTT
SCHEMBL5147508 0.81 PLA2G7 (0.34) PLA2G7ALDH1A1GRM2HTTMAPT
SCHEMBL5147316 0.81 PLA2G7 (0.39) PLA2G7ALDH1A1NTRK1MKNK1MEN1
SCHEMBL5149061 0.80 PLA2G7 (0.38) PLA2G7ALDH1A1
SCHEMBL5145980 0.79 MAPK8 (0.34) PLA2G7ALDH1A1NTRK1GRM2
SCHEMBL5147520 0.79 PLA2G7 (0.35) PLA2G7ALDH1A1GRM2
SCHEMBL5146079 0.79 ALDH1A1 (0.38) PLA2G7ALDH1A1MEN1KMT2AHTT
SCHEMBL5148389 0.78 CA1 (0.35) PLA2G7ALDH1A1GRM2
SCHEMBL5179917 0.77 ALDH1A1 (0.40) PLA2G7ALDH1A1MEN1KMT2AHTT

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