SCHEMBL2016911

SCHEMBL2016911

COc1ccc(CN2CCCCCC2=O)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
STAT3 P40763 1/20 0.50
ACHE P22303 3/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL3788597 0.96 HTT (0.56) L3MBTL1HTTHRH3ALDH1A1KDM4E
SCHEMBL9668347 0.87 HTT (0.46) L3MBTL1HTTACHEMCOLN3MEN1
SCHEMBL23310509 0.85 KMT2A (0.58) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16485862 0.84 L3MBTL1 (0.51) L3MBTL1HRH3ACHEMEN1KMT2A
SCHEMBL3793071 0.83 KMT2A (0.55) HTTALDH1A1KDM4ESTAT3MEN1
SCHEMBL27952072 0.81 GAA (0.50) L3MBTL1HRH3ACHEMEN1KMT2A
SCHEMBL27952027 0.81 MAOB (0.53) L3MBTL1HTTHRH3ALDH1A1MEN1
SCHEMBL3796336 0.80 KMT2A (0.57) HTTALDH1A1KDM4ESTAT3MEN1
SCHEMBL1640898 0.80 HTT (0.76) HTTALDH1A1KDM4ESTAT3
SCHEMBL6166995 0.79 KMT2A (0.50) L3MBTL1HRH3ACHEMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858767-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2013-01-02 CN disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed