SCHEMBL4080120

SCHEMBL4080120

CN1CCC(C(CCN)c2ccc(-c3nc4c(Cl)cccc4[nH]3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.41
PARP2 Q9UGN5 6/20 0.41
SSTR5 P35346 2/20 0.39
AURKB Q96GD4 3/20 0.38
AURKA O14965 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
KDR P35968 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2D Q13557 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM3 Q86V86 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
STK17A Q9UEE5 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35

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 0.90 HRH4 (0.44) PARP1PARP2AURKBAURKAPRKD3
SCHEMBL3477289 0.85 HRH4 (0.45) PARP1PARP2SSTR5KCNH2HRH4
SCHEMBL4078500 0.85 HRH4 (0.43) PARP1PARP2HRH4
SCHEMBL3478547 0.79 KCNH2 (0.36) PARP1SSTR5KCNH2DGAT1ADORA2A
SCHEMBL601446 0.73 HRH4 (0.49) PARP1PARP2AURKBAURKAKCNH2
SCHEMBL3864328 0.72 HRH4 (0.43) HRH4
SCHEMBL3477595 0.71 HRH4 (0.56) PARP1PARP2AURKBKDRPRKD3
SCHEMBL3950574 0.68 HRH4 (0.46) SSTR5KCNH2HRH4
SCHEMBL4543952 0.66 HRH4 (0.57) SSTR5HRH4
SCHEMBL4084534 0.66 HRH4 (0.45) PARP1KCNH2HRH4

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