SCHEMBL3249358

SCHEMBL3249358

COc1cccc(OCC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.56
CDC42BPA Q5VT25 5/20 0.56
ROCK1 Q13464 5/20 0.56
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDR P35968 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3129506 0.93 ROCK2 (0.64) ROCK2CDC42BPAROCK1
SCHEMBL3249259 0.86 ROCK2 (0.58) ROCK2CDC42BPAROCK1L3MBTL1KMT2A
SCHEMBL3246515 0.85 ROCK2 (0.57) ROCK2CDC42BPAROCK1KDR
SCHEMBL3242746 0.85 ROCK2 (0.58) ROCK2CDC42BPAROCK1KDR
SCHEMBL3247286 0.84 ROCK2 (0.59) ROCK2CDC42BPAROCK1L3MBTL1KMT2A
SCHEMBL3247042 0.84 ROCK2 (0.56) ROCK2CDC42BPAROCK1L3MBTL1KMT2A
SCHEMBL3129325 0.84 ROCK2 (0.64) ROCK2CDC42BPAROCK1
SCHEMBL3243858 0.84 ROCK2 (0.53) ROCK2CDC42BPAROCK1MEN1KMT2A
SCHEMBL3241492 0.83 ROCK2 (0.55) ROCK2CDC42BPAROCK1L3MBTL1KMT2A
SCHEMBL3247014 0.83 ROCK2 (0.74) ROCK2CDC42BPAROCK1

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