SCHEMBL3248274

SCHEMBL3248274

O=C(Nc1ccc(-c2cn[nH]c2)cc1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 1.00
ROCK1 Q13464 5/20 0.64
MYLK4 Q86YV6 3/20 0.64
POLB P06746 1/20 0.59
MGLL Q99685 2/20 0.56

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
SCHEMBL3114815 0.88 ROCK2 (0.78) ROCK2ROCK1MYLK4
SCHEMBL3251821 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4MGLL
SCHEMBL3243302 0.86 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL3248356 0.86 ROCK2 (0.75) ROCK2ROCK1MYLK4MGLL
SCHEMBL3241199 0.86 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL3251290 0.85 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL3246005 0.84 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL3130229 0.83 ROCK2 (0.71) ROCK2ROCK1MYLK4
SCHEMBL9128045 0.82 ROCK2 (0.69) ROCK2POLBMGLL
SCHEMBL17407608 0.82 ROCK2 (0.77) ROCK2ROCK1MYLK4

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