SCHEMBL2037282

SCHEMBL2037282

CCC(O)(c1ccccn1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR1H2 P55055 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CHRM3 P20309 1/20 0.38

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
SCHEMBL18635470 0.82 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1MEN1KMT2ACHRM3
SCHEMBL7813031 0.80 ALOX5 (0.45) ALOX5NR1H2
SCHEMBL8611773 0.80 SMN1; SMN2 (0.48) ALOX5SMN1; SMN2L3MBTL1NR1H2MEN1
SCHEMBL9905371 0.79 SMN1; SMN2 (0.42) ALOX5SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL7803741 0.79 ALOX5 (0.44) ALOX5NR1H2
SCHEMBL16230722 0.77 NR1H2 (0.47) ALOX5SMN1; SMN2L3MBTL1NR1H2MEN1
SCHEMBL20148783 0.76 ALOX5 (0.46) ALOX5SMN1; SMN2L3MBTL1NR1H2MEN1
SCHEMBL7816672 0.73 ALOX5 (0.42) ALOX5
SCHEMBL7813254 0.72 ALOX5 (0.60) ALOX5MEN1KMT2A
SCHEMBL5568072 0.72 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1MEN1KMT2ACHRM3

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-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