SCHEMBL18809334

SCHEMBL18809334

C[C@@H](N)C1CCCC(C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 5/20 0.42
PKN2 Q16513 4/20 0.42
RPS6KA5 O75582 3/20 0.42
LRRK2 Q5S007 3/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
PRKD3 O94806 2/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
LTK P29376 2/20 0.42
CDK8 P49336 2/20 0.42
PRKX P51817 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCD Q05655 2/20 0.42
STK3 Q13188 2/20 0.42
CDC42BPA Q5VT25 2/20 0.42
BRSK1 Q8TDC3 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42

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
SCHEMBL5146249 0.92 ROCK2 (0.46) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL3696737 0.78 ROCK2 (0.34) ROCK2ROCK1PKN2RPS6KA5LRRK2
Pyridine SCHEMBL27499200 0.78 ROCK2 (0.54) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL19489277 0.78 EPHX2 (0.48) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL659048 0.77 ALOX5 (0.43) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL10270878 0.77 ALOX5 (0.43) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL8073959 0.77 ALOX5 (0.43) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL18431022 0.76 EPHX2 (0.50) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL19489059 0.76 EPHX2 (0.50) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL18809737 0.76 EPHX2 (0.50) ROCK2ROCK1PKN2RPS6KA5LRRK2

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-2167489-B1 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed