SCHEMBL13136196

SCHEMBL13136196

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.39
ADORA2A P29274 1/20 0.38
KDR P35968 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PFKFB3 Q16875 1/20 0.35
LMNA P02545 1/20 0.34
KARS1 Q15046 1/20 0.34
ACACB O00763 3/20 0.34
ACACA Q13085 3/20 0.34

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
SCHEMBL13136082 0.87 KDR (0.46) SYKKDRKARS1ACACB
SCHEMBL13136087 0.86 ACACB (0.44) SYKKDRACACBACACA
SCHEMBL2859100 0.82 KARS1 (0.52) SYKKDRKDM4EALDH1A1LMNA
SCHEMBL13136605 0.82 AKT3 (0.41) SYKADORA2AKDM4EALDH1A1LMNA
SCHEMBL13136237 0.81 SYK (0.41) SYKKDM4EALDH1A1LMNAKARS1
SCHEMBL2861389 0.81 SYK (0.52) SYKROCK2ROCK1KARS1ACACB
SCHEMBL13136326 0.80 SYK (0.46) SYKKDRKARS1
SCHEMBL2863845 0.80 KARS1 (0.42) SYKKDM4EALDH1A1LMNAKARS1
SCHEMBL2869607 0.79 MAP3K5 (0.42) SYKKARS1ACACBACACA
SCHEMBL13136324 0.78 SYK (0.46) SYKKDRKARS1

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