SCHEMBL13136103

SCHEMBL13136103

CC(=O)N1CCC(c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.53
MAP3K12 Q12852 6/20 0.52
KARS1 Q15046 10/20 0.49

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
SCHEMBL13136300 0.92 SYK (0.50) SYKMAP3K12KARS1
SCHEMBL2859658 0.92 SYK (0.53) SYKMAP3K12KARS1
SCHEMBL13136207 0.91 SYK (0.52) SYKMAP3K12KARS1
SCHEMBL13136346 0.91 SYK (0.52) SYKMAP3K12KARS1
SCHEMBL13136357 0.91 SYK (0.51) SYKMAP3K12KARS1
SCHEMBL2869954 0.91 SYK (0.51) SYKMAP3K12KARS1
SCHEMBL13136267 0.91 SYK (0.51) SYKMAP3K12KARS1
SCHEMBL2869895 0.90 SYK (0.53) SYKMAP3K12KARS1
SCHEMBL13136311 0.90 MAP3K12 (0.53) SYKMAP3K12KARS1
SCHEMBL13136405 0.90 SYK (0.51) SYKMAP3K12KARS1

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