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SCHEMBL3629563

SCHEMBL3629563

CCOc1nc(NC2CCC(NC(=O)O)CC2)c(Cl)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ SYK P43405 6/20 0.45
▸ CHRM4 P08173 1/20 0.40
▸ FER P16591 1/20 0.39
▸ BTK Q06187 3/20 0.38
▸ MAPK8 P45983 5/20 0.38
▸ MAPK9 P45984 2/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL3629561 1.00 ROCK2 (0.46) ROCK2ROCK1SYKCHRM4FER
SCHEMBL1936988 0.89 ROCK2 (0.58) ROCK2ROCK1SYKFERBTK
SCHEMBL1936989 0.89 ROCK2 (0.58) ROCK2ROCK1SYKFERBTK
SCHEMBL3630683 0.88 ROCK2 (0.59) ROCK2ROCK1SYKFERMAPK8
SCHEMBL3630689 0.88 ROCK2 (0.59) ROCK2ROCK1SYKFERMAPK8
SCHEMBL3630676 0.87 ROCK2 (0.46) ROCK2ROCK1SYKCHRM4MAPK8
SCHEMBL3630680 0.87 ROCK2 (0.46) ROCK2ROCK1SYKCHRM4MAPK8
SCHEMBL3623059 0.87 ROCK2 (0.46) ROCK2ROCK1SYKMAPK8MAPK9
SCHEMBL3622961 0.87 ROCK2 (0.62) ROCK2ROCK1SYKMAPK8MAPK9
SCHEMBL3622963 0.87 ROCK2 (0.62) 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