SCHEMBL5148389

SCHEMBL5148389

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cc(CCN4CCNCC4)c(Cc4ccc(F)cc4)s3)n2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PLA2G7 Q13093 1/20 0.33
DYRK2 Q92630 1/20 0.32
KCNH2 Q12809 4/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CCNT1 O60563 2/20 0.31
CDK9 P50750 1/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL5145980 0.94 MAPK8 (0.34) PLA2G7CCNT1CDK9GRM2ALDH1A1
SCHEMBL2972072 0.88 CA1 (0.34) CA1CA2CA9DYRK2KCNH2
SCHEMBL5147508 0.87 PLA2G7 (0.34) PLA2G7GRM2ALDH1A1
SCHEMBL5147520 0.84 PLA2G7 (0.35) PLA2G7GRM2ALDH1A1
SCHEMBL2981974 0.83 CDK1 (0.31)
SCHEMBL2980449 0.82 IKBKB (0.32)
SCHEMBL2975963 0.82 MAPK8 (0.34)
SCHEMBL5166562 0.79
SCHEMBL5147316 0.79 PLA2G7 (0.39) PLA2G7GRM2ALDH1A1
SCHEMBL5148399 0.78 PLA2G7 (0.39) PLA2G7GRM2ALDH1A1

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 claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed