SCHEMBL871886

SCHEMBL871886

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3OCCc3ccncc3)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.39
SCN9A Q15858 2/20 0.39
JAK2 O60674 2/20 0.37
PDGFRB P09619 2/20 0.37
FLT3 P36888 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
IKBKB O14920 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
RPS6KB1 P23443 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
MAP3K9 P80192 1/20 0.37
PLK4 O00444 1/20 0.37
CIT O14578 1/20 0.37
GAK O14976 1/20 0.37

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
SCHEMBL873706 0.91 PFKFB2 (0.42) SCN3ASCN9AHDAC3HDAC4HDAC1
SCHEMBL873304 0.82 PFKFB3 (0.39) SCN3ASCN9ASCN5AHDAC3HDAC4
SCHEMBL10119595 0.82 SCN3A (0.43) SCN3ASCN9ASCN5AHDAC3HDAC4
SCHEMBL873223 0.79 RHOC (0.43) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL872815 0.77 PSMB8 (0.38) SCN3ASCN9ASCN5AHDAC3HDAC4
SCHEMBL845510 0.75 SCN3A (0.54) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL872886 0.74 KDM4E (0.52) PFKFB3PFKFB2PFKFB1
SCHEMBL10119687 0.73 CYP2C9 (0.44) HDAC8PSMB8PFKFB3PFKFB2PFKFB1
SCHEMBL845110 0.73 ALDH1A1 (0.48) PFKFB3PFKFB2PFKFB1
SCHEMBL10119294 0.72 ITGB3 (0.41) SCN3ASCN9AJAK2PDGFRBFLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed