SCHEMBL13136644

SCHEMBL13136644

Cc1ccnc(Nc2cccc(-c3ccc(C(=O)NCC(O)CO)s3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 8/20 0.47
SYK P43405 1/20 0.45
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
AKT3 Q9Y243 6/20 0.40
ROCK2 O75116 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL13136569 0.91 KARS1 (0.47) KARS1SYKMEN1NPC1RAB9A
SCHEMBL14390677 0.90 KARS1 (0.49) KARS1SYKMEN1NPC1RAB9A
SCHEMBL13136555 0.87 KARS1 (0.58) KARS1SYKMEN1NPC1RAB9A
SCHEMBL13136634 0.85 KARS1 (0.49) KARS1SYKMEN1NPC1RAB9A
SCHEMBL2871084 0.84 AKT3 (0.58) KARS1SYKMEN1NPC1RAB9A
SCHEMBL2856828 0.83 KARS1 (0.54) KARS1SYKMEN1NPC1RAB9A
SCHEMBL13136629 0.83 KARS1 (0.48) KARS1SYKMEN1NPC1RAB9A
SCHEMBL13136631 0.81 KARS1 (0.47) KARS1SYKMEN1NPC1RAB9A
SCHEMBL13136595 0.81 KARS1 (0.48) KARS1SYKMEN1NPC1RAB9A
SCHEMBL13136552 0.81 KARS1 (0.56) KARS1SYKMEN1NPC1RAB9A

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