SCHEMBL3476609

SCHEMBL3476609

COC(=O)Oc1ccc2[nH]c(-c3ccc(NCCCC4CCN(C)CC4)nc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 2/20 0.40
CHEK2 O96017 8/20 0.40
PRMT5 O14744 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3476323 0.91 JAK1 (0.44) HRH4JAK2JAK1JAK3CHEK2
SCHEMBL3477661 0.87 HRH4 (0.41) HRH4JAK2JAK1JAK3CHEK2
SCHEMBL3475556 0.85 JAK2 (0.40) JAK2JAK1JAK3CHEK2DRD3
SCHEMBL3476731 0.84 HRH4 (0.49) HRH4JAK2JAK1
SCHEMBL3475384 0.83 HRH4 (0.46) HRH4JAK2JAK1
SCHEMBL3475781 0.83 HRH4 (0.41) HRH4CHEK2
SCHEMBL3476347 0.83 HRH4 (0.46) HRH4
SCHEMBL3476818 0.78 HRH4 (0.46) HRH4JAK2JAK1
SCHEMBL3476308 0.76 HRH4 (0.63) HRH4JAK2JAK1JAK3
SCHEMBL3476897 0.75 HRH4 (0.68) HRH4JAK2JAK1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004188-B1 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-09-01 EP claimed