SCHEMBL5146079

SCHEMBL5146079

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3ccc(Cl)s3)n2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 3/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
PLA2G7 Q13093 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5179917 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5149053 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1HTTGAA
SCHEMBL5147462 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147484 0.85 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147468 0.84 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5149221 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2977647 0.84
SCHEMBL5148393 0.83 HTT (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147380 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147429 0.81 ADORA1 (0.37) ALDH1A1NPC1HTTGAAMEN1

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