SCHEMBL3264747

SCHEMBL3264747

COc1cccc(CNC(=O)Nc2ccc(-c3c[nH]nc3C)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.71
NAMPT P43490 4/20 0.56
HIF1A Q16665 1/20 0.55
ROCK1 Q13464 2/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CNR1 P21554 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3245892 0.86 ROCK2 (0.62) ROCK2NAMPTROCK1MEN1MAPT
SCHEMBL3240812 0.83 ROCK2 (0.51) ROCK2ROCK1MEN1ALDH1A1LMNA
SCHEMBL3236915 0.83 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3249431 0.81 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3127521 0.81 ROCK2 (1.00) ROCK2NAMPTHIF1AROCK1MEN1
SCHEMBL1848820 0.78 ROCK2 (0.64) ROCK2NAMPTROCK1
SCHEMBL3246832 0.77 ROCK2 (0.72) ROCK2NAMPTROCK1
SCHEMBL1847141 0.77 ROCK2 (0.63) ROCK2NAMPTROCK1ALDH1A1LMNA
SCHEMBL3245931 0.76 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL3132012 0.76 ROCK2 (1.00) ROCK2NAMPTHIF1AROCK1

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