SCHEMBL3127087

SCHEMBL3127087

Nc1cc(-c2ccc(NC(=O)NCc3ccccc3)cc2)ccn1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.73
ROCK1 Q13464 2/20 0.70
RORC P51449 2/20 0.56
HTT P42858 1/20 0.54
KDR P35968 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KIT P10721 1/20 0.53
CIT O14578 1/20 0.52
NAMPT P43490 2/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
IMPDH2 P12268 1/20 0.51

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
SCHEMBL3132012 0.85 ROCK2 (1.00) ROCK2ROCK1NAMPT
SCHEMBL4525925 0.83 ROCK2 (1.00) ROCK2ROCK1RORCHTTNAMPT
SCHEMBL10133206 0.81 ROCK2 (0.80) ROCK2ROCK1RORCHTTCA12
SCHEMBL3123391 0.81 TOP2A (0.60) ROCK2ROCK1HTTCITMAPT
SCHEMBL3118874 0.78 MGLL (0.61) ROCK2ROCK1CITNPC1MAPT
SCHEMBL13960179 0.77 ROCK2 (0.74) ROCK2ROCK1RORCHTTCA12
SCHEMBL3461361 0.77 CA2 (0.68) ROCK2ROCK1RORCHTTCA12
SCHEMBL1566715 0.76 HDAC1 (0.52) ROCK2KDRNAMPT
SCHEMBL2831462 0.75 NPC1 (0.77) ROCK2ROCK1RORCHTTCA12
SCHEMBL1565884 0.75 NAMPT (0.55) KDRNAMPT

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 3 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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed