SCHEMBL5956771

SCHEMBL5956771

Cc1cc2c(cc1C(=O)Nc1ccnc3[nH]ccc13)SCCC2N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 3/20 0.46
CIT O14578 3/20 0.46
GSK3B P49841 3/20 0.46
PRKD3 O94806 2/20 0.46
PRKACA P17612 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
PKN2 Q16513 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
CSNK2A2 P19784 1/20 0.46
MARK3 P27448 1/20 0.46
BMPR1A P36894 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CLK1 P49759 1/20 0.46
GSK3A P49840 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL5956758 1.00 ROCK2 (0.46) ROCK2ROCK1CITGSK3BPRKD3
SCHEMBL4442264 0.91 ROCK2 (0.48) ROCK2ROCK1CITGSK3BPRKD3
SCHEMBL4442306 0.91 ROCK2 (0.48) ROCK2ROCK1CITGSK3BPRKD3
SCHEMBL4442272 0.91 ROCK2 (0.48) ROCK2ROCK1CITGSK3BPRKD3
SCHEMBL5140157 0.89 JAK2 (0.49) ROCK2ROCK1CITGSK3BPRKD3
SCHEMBL5140162 0.89 JAK2 (0.49) ROCK2ROCK1CITGSK3BPRKD3
SCHEMBL4443531 0.86 PAK1 (0.35) GSK3B
SCHEMBL4443519 0.86 PAK1 (0.35) GSK3B
SCHEMBL4443791 0.86 PAK1 (0.35) GSK3B
SCHEMBL2855653 0.86 ROCK2 (0.51) ROCK2ROCK1CITGSK3BPRKD3

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP claimed