SCHEMBL3627383

SCHEMBL3627383

COc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.79
ROCK1 Q13464 1/20 0.79
MAPK8 P45983 9/20 0.40
SYK P43405 8/20 0.40
MAPK9 P45984 5/20 0.40
KIT P10721 1/20 0.38
FLT3 P36888 1/20 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
SCHEMBL3627381 1.00 ROCK2 (0.79) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL1935855 0.88 ROCK2 (1.00) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL12489141 0.88 ROCK2 (0.83) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL1935856 0.88 ROCK2 (1.00) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL1937151 0.88 ROCK2 (0.61) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL1937153 0.88 ROCK2 (0.61) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL3629564 0.88 ROCK2 (0.62) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL3629566 0.88 ROCK2 (0.62) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL3622961 0.88 ROCK2 (0.62) ROCK2ROCK1MAPK8SYKMAPK9
SCHEMBL3622963 0.88 ROCK2 (0.62) ROCK2ROCK1MAPK8SYKMAPK9

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