SCHEMBL5147316

SCHEMBL5147316

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3ncc(Cc4ccc(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 10/20 0.36
GRM2 Q14416 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
USP2 O75604 7/20 0.32
CYP1A2 P05177 7/20 0.32
HSD17B10 Q99714 6/20 0.32
CASP1 P29466 6/20 0.32
CASP7 P55210 6/20 0.32
HIF1A Q16665 6/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
TSHR P16473 4/20 0.32
LMNA P02545 3/20 0.32
GLA P06280 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
OPRK1 P41145 1/20 0.32
CCR6 P51684 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
SCHEMBL5149162 0.92 PLA2G7 (0.40) PLA2G7ALDH1A1GRM2MKNK1USP2
SCHEMBL2975981 0.86 ALDH1A1 (0.33) ALDH1A1USP2CYP1A2HSD17B10CASP1
SCHEMBL5148399 0.81 PLA2G7 (0.39) PLA2G7ALDH1A1GRM2MKNK1USP2
SCHEMBL5147508 0.81 PLA2G7 (0.34) PLA2G7ALDH1A1GRM2SMN1; SMN2
SCHEMBL5149221 0.80 ALDH1A1 (0.39) ALDH1A1USP2CYP1A2HSD17B10CASP1
SCHEMBL5145980 0.79 MAPK8 (0.34) PLA2G7ALDH1A1GRM2NTRK1
SCHEMBL5147520 0.79 PLA2G7 (0.35) PLA2G7ALDH1A1GRM2
SCHEMBL5148389 0.79 CA1 (0.35) PLA2G7ALDH1A1GRM2
SCHEMBL5148346 0.79 PLA2G7 (0.41) PLA2G7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5149061 0.77 PLA2G7 (0.38) PLA2G7ALDH1A1

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