SCHEMBL13136331

SCHEMBL13136331

O=C1CC[C@@H](c2ncc(-c3cccc(Nc4cc(OCCO)ccn4)n3)s2)N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.41
KARS1 Q15046 2/20 0.35
KDR P35968 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL2869006 0.88 KDR (0.43) SYKKARS1KDR
SCHEMBL2869013 0.88 KDR (0.43) SYKKARS1KDR
SCHEMBL2862665 0.87 SYK (0.39) SYKKARS1KDR
SCHEMBL2862657 0.87 SYK (0.39) SYKKARS1KDR
SCHEMBL2862460 0.84 SYK (0.51) SYKKARS1KDR
SCHEMBL2871174 0.84 SYK (0.50) SYKKARS1CDK1CDK4CCNE1
SCHEMBL2862469 0.84 SYK (0.51) SYKKARS1KDR
SCHEMBL2871166 0.84 SYK (0.50) SYKKARS1CDK1CDK4CCNE1
SCHEMBL13136329 0.83 SYK (0.47) SYKKDR
SCHEMBL13136330 0.81 SYK (0.40) SYKKARS1KDR

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