SCHEMBL4084534

SCHEMBL4084534

Cc1cc(C)c2nc(-c3ccc(C(CCN)N4CCN(C)CC4)nc3)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.45
KCNH2 Q12809 3/20 0.37
SSTR2 P30874 1/20 0.37
DHODH Q02127 6/20 0.37
PARP1 P09874 3/20 0.37
RPS6KA3 P51812 1/20 0.34
ESR1 P03372 1/20 0.34
ATR Q13535 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CARM1 Q86X55 1/20 0.33

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
SCHEMBL4087266 0.72 HRH4 (0.44) HRH4PARP1ATR
SCHEMBL3476911 0.71 HRH4 (0.56) HRH4DHODHCARM1
SCHEMBL4078500 0.70 HRH4 (0.43) HRH4PARP1
SCHEMBL3477078 0.67 HRH4 (0.67) HRH4KCNH2SSTR2DHODHPARP1
SCHEMBL602241 0.67 HRH4 (0.45) HRH4KCNH2SSTR2DHODHPARP1
SCHEMBL3476444 0.67 HRH4 (0.55) HRH4KCNH2SSTR2DHODHPARP1
SCHEMBL3476442 0.66 HRH4 (0.61) HRH4KCNH2SSTR2DHODHPARP1
SCHEMBL3477289 0.66 HRH4 (0.45) HRH4KCNH2PARP1
SCHEMBL31474773 0.66 RPS6KA3 (0.56) DHODHPARP1RPS6KA3TNKSTNKS2
SCHEMBL4080120 0.66 PARP1 (0.41) HRH4KCNH2PARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009532367-A 2009-09-10 JP claimed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP claimed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO claimed