SCHEMBL3244470

SCHEMBL3244470

Cc1cccc(COC(=O)N(OC(C)C(=O)N2CCOCC2)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.42
ROCK1 Q13464 2/20 0.40
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCL9 O00512 2/20 0.36
CTNNB1 P35222 2/20 0.36
GRIN2B Q13224 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35

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
SCHEMBL3250849 0.85 ROCK2 (0.43) ROCK2ROCK1BCL9CTNNB1
SCHEMBL3247220 0.83 ROCK2 (0.47) ROCK2ROCK1KDR
SCHEMBL3244463 0.79 ROCK2 (0.42) ROCK2ROCK1ALOX15HSD17B10
SCHEMBL3251649 0.78 ROCK2 (0.44) ROCK2ROCK1KDRTEK
SCHEMBL3246278 0.77 ROCK2 (0.44) ROCK2ROCK1GRIN2BKDRTEK
SCHEMBL3248607 0.76 ROCK2 (0.49) ROCK2ROCK1KDRTEK
SCHEMBL3249902 0.76 ROCK2 (0.47) ROCK2ROCK1KDRTEK
SCHEMBL3130772 0.75 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL3238595 0.75 ROCK2 (0.48) ROCK2ROCK1KDRTEK
SCHEMBL3252034 0.75 ROCK2 (0.48) ROCK2ROCK1KDRTEK

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed