SCHEMBL3630683

SCHEMBL3630683

COc1nc(N[C@H]2CC[C@H](NC(=O)O)CC2)c(Cl)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
FER P16591 1/20 0.41
SYK P43405 5/20 0.40
MAPK8 P45983 4/20 0.40
DRD2 P14416 1/20 0.39
MAPK9 P45984 2/20 0.38

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
SCHEMBL3630689 1.00 ROCK2 (0.59) ROCK2ROCK1FERSYKMAPK8
SCHEMBL2176955 0.88 ROCK2 (0.75) ROCK2ROCK1FERSYKMAPK8
SCHEMBL1937151 0.88 ROCK2 (0.61) ROCK2ROCK1SYKMAPK8MAPK9
SCHEMBL2176952 0.88 ROCK2 (0.75) ROCK2ROCK1FERSYKMAPK8
SCHEMBL1937153 0.88 ROCK2 (0.61) ROCK2ROCK1SYKMAPK8MAPK9
SCHEMBL3629563 0.88 ROCK2 (0.46) ROCK2ROCK1FERSYKMAPK8
SCHEMBL3629561 0.88 ROCK2 (0.46) ROCK2ROCK1FERSYKMAPK8
SCHEMBL3630238 0.86 ROCK2 (0.59) ROCK2ROCK1SYKMAPK8MAPK9
SCHEMBL3627381 0.86 ROCK2 (0.79) ROCK2ROCK1SYKMAPK8MAPK9
SCHEMBL3627383 0.86 ROCK2 (0.79) ROCK2ROCK1SYKMAPK8MAPK9

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
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed