SCHEMBL3246062

SCHEMBL3246062

COc1cccc(CNC(=O)Nc2ccc(-c3cnn(C)c3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.70
CLK1 P49759 1/20 0.62
ROCK1 Q13464 2/20 0.61
NAMPT P43490 3/20 0.54
HIF1A Q16665 1/20 0.53
KMT2A Q03164 2/20 0.52
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
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PRKACA P17612 1/20 0.50
GSK3A P49840 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
SCHEMBL23019288 0.85 ROCK2 (0.63) ROCK2CLK1ROCK1NAMPTKMT2A
SCHEMBL3127521 0.83 ROCK2 (1.00) ROCK2ROCK1NAMPTHIF1AKMT2A
SCHEMBL3249431 0.81 ROCK2 (1.00) ROCK2ROCK1NAMPTCYP2C9
SCHEMBL29312949 0.79 ROCK2 (0.67) ROCK2NAMPTHIF1AKMT2AMEN1
SCHEMBL3132012 0.78 ROCK2 (1.00) ROCK2ROCK1NAMPTHIF1ACYP3A4
SCHEMBL3236915 0.77 ROCK2 (1.00) ROCK2ROCK1NAMPT
SCHEMBL22953924 0.77 MAPK8 (0.62) CLK1ROCK1GAAPRKACAGSK3B
SCHEMBL23019558 0.77 RORC (0.61) ROCK2ROCK1NAMPTALDH1A1
SCHEMBL3264747 0.76 ROCK2 (0.71) ROCK2ROCK1NAMPTHIF1AKMT2A
SCHEMBL18254911 0.76 ROCK2 (1.00) ROCK2ROCK1NAMPTKMT2AMEN1

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