SCHEMBL13136172

SCHEMBL13136172

COc1ccc(C[C@H](NC(C)=O)c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.44
KARS1 Q15046 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK10 P53779 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.38
ACACB O00763 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL13136175 0.91 KARS1 (0.44) SYKKARS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13136123 0.91 SYK (0.46) SYKKARS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13136039 0.91 SYK (0.49) SYKKARS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13136095 0.91 SYK (0.44) SYKKARS1ACACB
SCHEMBL13136176 0.91 SYK (0.43) SYKKARS1SMN1; SMN2ALDH1A1ACACB
SCHEMBL13136211 0.89 NPC1 (0.49) SYKKARS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13136056 0.85 SYK (0.49) SYKKARS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13136171 0.85 KARS1 (0.47) SYKKARS1SMN1; SMN2ALDH1A1MAPK10
SCHEMBL13136213 0.84 SYK (0.41) SYKKARS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13136042 0.83 SYK (0.46) SYKKARS1SMN1; SMN2ALDH1A1MEN1

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
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed