SCHEMBL13136176

SCHEMBL13136176

COc1ccc(C[C@H](NC(C)=O)c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.43
KARS1 Q15046 8/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
KDR P35968 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
ROS1 P08922 1/20 0.36
ALK Q9UM73 1/20 0.36
ACACB O00763 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL13136172 0.91 SYK (0.44) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136123 0.88 SYK (0.46) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136039 0.88 SYK (0.49) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136211 0.86 NPC1 (0.49) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136174 0.85 KARS1 (0.46) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136175 0.85 KARS1 (0.44) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136095 0.85 SYK (0.44) SYKKARS1ACACB
SCHEMBL13136056 0.84 SYK (0.49) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136042 0.82 SYK (0.46) SYKKARS1MEN1KMT2ARAB9A
SCHEMBL13136213 0.82 SYK (0.41) SYKKARS1MEN1KMT2ARAB9A

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