SCHEMBL5147484

SCHEMBL5147484

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)s3)n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
POLB P06746 1/20 0.31
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 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
SCHEMBL5149061 0.92 PLA2G7 (0.38) ALDH1A1PTGS2
SCHEMBL2980527 0.86 MRGPRX1 (0.33) ALDH1A1MRGPRX1POLBPTGS1PTGS2
SCHEMBL5183961 0.86 BRAF (0.34) ALDH1A1
SCHEMBL5147495 0.85 ALDH1A1 (0.36) ALDH1A1MAPK1HTTLMNA
SCHEMBL5146079 0.85 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPK1HTTLMNA
SCHEMBL5147455 0.81 PLA2G7 (0.37) ALDH1A1HTTLMNAPTGS2
SCHEMBL5179917 0.80 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPK1HTTLMNA
SCHEMBL5145984 0.78 PLA2G7 (0.41) ALDH1A1
SCHEMBL2988097 0.78 PTGS2 (0.32) ALDH1A1LMNAMEN1KMT2APTGS2
SCHEMBL5147462 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPK1HTTLMNA

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