Sugi Predict

Sugi Predict / Compounds / SCHEMBL13136346

SCHEMBL13136346

SCHEMBL13136346

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.52
▸ KARS1 Q15046 10/20 0.48
▸ MAP3K12 Q12852 5/20 0.45

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
SCHEMBL13136103 0.91 SYK (0.53) SYKKARS1MAP3K12
SCHEMBL2859658 0.90 SYK (0.53) SYKKARS1MAP3K12
SCHEMBL13136207 0.90 SYK (0.52) SYKKARS1MAP3K12
SCHEMBL13136280 0.89 KARS1 (0.51) SYKKARS1MAP3K12
SCHEMBL13136357 0.89 SYK (0.51) SYKKARS1MAP3K12
SCHEMBL2869954 0.89 SYK (0.51) SYKKARS1MAP3K12
SCHEMBL13136267 0.89 SYK (0.51) SYKKARS1MAP3K12
SCHEMBL2869895 0.88 SYK (0.53) SYKKARS1MAP3K12
SCHEMBL13136405 0.88 SYK (0.51) SYKKARS1MAP3K12
SCHEMBL13136311 0.88 MAP3K12 (0.53) SYKKARS1MAP3K12

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 3 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
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 — — EP disclosed