SCHEMBL5149156

SCHEMBL5149156

CC1(C)CN(CCNc2ncc(Br)c(-c3cc4ccccc4s3)n2)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.35
PLA2G7 Q13093 1/20 0.33
KCNH2 Q12809 3/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
PRKCQ Q04759 2/20 0.32
CYP3A4 P08684 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL2982366 0.85 MERTK (0.34) MERTKKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL5149073 0.84 ILK (0.35) PLA2G7
SCHEMBL5147380 0.84 ALDH1A1 (0.40) MERTKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2985538 0.84 SCN9A (0.42) MERTKKCNH2CCNCCDK8PRKCQ
SCHEMBL2975235 0.83 MERTK (0.34) MERTKKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL2986555 0.82 SCN9A (0.37) MERTKKCNH2PIK3CDCCNCCDK8
SCHEMBL5148423 0.82 FPR2 (0.34) MERTKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2974918 0.81 JAK2 (0.33) MERTKKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL2975085 0.80 MERTK (0.35) MERTKKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL2984215 0.80 JAK2 (0.33) MERTKPIK3CAPIK3CDPIK3CBPIK3CG

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