SCHEMBL13136157

SCHEMBL13136157

CCOC(=O)CCC(=O)N[C@@H](C)c1ncc(-c2cccc(Nc3cc(C)ccn3)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.45
KARS1 Q15046 9/20 0.44
PARP1 P09874 1/20 0.40
KCNN1 Q92952 1/20 0.38
KCNN2 Q9H2S1 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
EGFR P00533 1/20 0.38
ERBB3 P21860 1/20 0.38
SLC2A1 P11166 1/20 0.38
KDR P35968 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
SCHEMBL13136158 0.93 SYK (0.46) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL2872543 0.87 KARS1 (0.50) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136182 0.86 SYK (0.46) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136159 0.86 SYK (0.51) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136054 0.84 KARS1 (0.50) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL2859100 0.84 KARS1 (0.52) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136342 0.84 SYK (0.47) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136024 0.83 KARS1 (0.51) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136339 0.82 SYK (0.46) SYKKARS1KCNN1KCNN2KCNN3
SCHEMBL13136025 0.82 KARS1 (0.50) SYKKARS1KCNN1KCNN2KCNN3

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