SCHEMBL5147458

SCHEMBL5147458

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3nc4ccncc4s3)n2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
CDK2 P24941 2/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CLK1 P49759 1/20 0.32
PSMD14 O00487 1/20 0.31
HTT P42858 1/20 0.31
PLA2G7 Q13093 1/20 0.31
MAPT P10636 1/20 0.31
FPR2 P25090 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
SCHEMBL5147346 0.90 PSMD14 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2PSMD14
SCHEMBL2979975 0.85 CDC7 (0.31) CDK2CDC7CCNE1DBF4
SCHEMBL5145889 0.84 ALDH1A1 (0.35) ALDH1A1CDK2NPC1RAB9ASMN1; SMN2
SCHEMBL5147360 0.83 CYP2A6 (0.35) ALDH1A1CDK2NPC1RAB9ASMN1; SMN2
SCHEMBL5146079 0.78 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5147380 0.77 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5179917 0.76 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5147316 0.76 PLA2G7 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2PLA2G7
SCHEMBL5147313 0.75 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5147293 0.75 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2HTT

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