SCHEMBL4087266

SCHEMBL4087266

Cc1cccc2[nH]c(-c3ccc(C(CCN)C4CCN(C)CC4)nc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
PARP1 P09874 4/20 0.42
PARP2 Q9UGN5 3/20 0.42
MGAM O43451 8/20 0.41
GAA P10253 8/20 0.41
SI P14410 8/20 0.41
MGAM2 Q2M2H8 8/20 0.41
ATR Q13535 4/20 0.40
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2D Q13557 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL4080120 0.90 PARP1 (0.41) HRH4PARP1PARP2AURKBAURKA
SCHEMBL4078500 0.89 HRH4 (0.43) HRH4PARP1PARP2HPSE
SCHEMBL3477289 0.85 HRH4 (0.45) HRH4PARP1PARP2
SCHEMBL3478547 0.80 KCNH2 (0.36) PARP1
SCHEMBL3864328 0.76 HRH4 (0.43) HRH4
SCHEMBL604528 0.72 HRH4 (0.58) HRH4PARP1PARP2MGAMGAA
SCHEMBL4084534 0.72 HRH4 (0.45) HRH4PARP1ATR
SCHEMBL3476356 0.71 HRH4 (0.68) HRH4PARP1PARP2MGAMGAA
SCHEMBL603789 0.69 DRD3 (0.54) HRH4PARP1MGAMGAASI
SCHEMBL4543952 0.68 HRH4 (0.57) HRH4

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