SCHEMBL5148393

SCHEMBL5148393

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cc4cccc(Cl)c4s3)n2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
ALDH1A1 P00352 7/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
FGFR1 P11362 4/20 0.34
EGFR P00533 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL5147380 0.86 ALDH1A1 (0.40) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2982333 0.86 FGFR1 (0.34) FGFR1EGFR
SCHEMBL5179917 0.85 ALDH1A1 (0.40) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5147462 0.84 ALDH1A1 (0.42) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5146079 0.83 ALDH1A1 (0.38) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5147360 0.81 CYP2A6 (0.35) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5145889 0.81 ALDH1A1 (0.35) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5147313 0.81 ALDH1A1 (0.35) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5147498 0.80 ALDH1A1 (0.36) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5148335 0.79 PDE3B (0.36) HTTALDH1A1NPC1RAB9ASMN1; SMN2

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