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Sugi Predict / Compounds / SCHEMBL3243399

SCHEMBL3243399

SCHEMBL3243399

CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.66
▸ ROCK1 Q13464 7/20 0.56
▸ CDC42BPA Q5VT25 2/20 0.56
▸ AKT1 P31749 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL3130458 0.93 ROCK2 (0.69) ROCK2ROCK1CDC42BPA
SCHEMBL3247014 0.91 ROCK2 (0.74) ROCK2ROCK1CDC42BPA
SCHEMBL13391367 0.91 ROCK2 (0.61) ROCK2ROCK1CDC42BPAAKT1KDR
SCHEMBL3242776 0.84 ROCK2 (0.77) ROCK2ROCK1CDC42BPA
SCHEMBL3239736 0.84 ROCK2 (0.92) ROCK2ROCK1CDC42BPAAKT1
SCHEMBL3249341 0.83 ROCK2 (0.59) ROCK2ROCK1CDC42BPAKDR
SCHEMBL13390977 0.83 ROCK2 (0.57) ROCK2ROCK1CDC42BPAAKT1KDR
SCHEMBL3238655 0.83 ROCK2 (0.71) ROCK2ROCK1CDC42BPA
SCHEMBL3129325 0.82 ROCK2 (0.64) ROCK2ROCK1CDC42BPA
SCHEMBL3245010 0.82 ROCK2 (0.70) ROCK2ROCK1CDC42BPAAKT1

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