SCHEMBL5077802

SCHEMBL5077802

Nc1nc(NCc2ccccc2)cc(N2C[CH]CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.69
PIK3CB P42338 2/20 0.69
HRH3 Q9Y5N1 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2166970 0.81 HRH4 (1.00) HRH4PIK3CBHRH3
SCHEMBL4401397 0.78 HRH4 (0.91) HRH4PIK3CBHRH3
SCHEMBL4392709 0.74 HRH4 (0.66) HRH4PIK3CBHRH3
SCHEMBL4392707 0.72 HRH4 (0.64) HRH4PIK3CBHRH3
SCHEMBL6244393 0.72 HRH4 (0.60) HRH4PIK3CBSMN1; SMN2
SCHEMBL15521620 0.71 HRH4 (0.82) HRH4HRH3
SCHEMBL15521589 0.71 HRH4 (1.00) HRH4HRH3
SCHEMBL28736253 0.70 SMN1; SMN2 (0.68) HRH4PIK3CBSMN1; SMN2
SCHEMBL1319082 0.70 SMN1; SMN2 (0.68) HRH4PIK3CBSMN1; SMN2
SCHEMBL7022867 0.70 SMN1; SMN2 (0.68) HRH4PIK3CBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928862-A1 2-AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR ACTIVITY Palau Pharma, S.A. (ES) 2008-06-11 EP disclosed
WO-2007031529-A1 2-AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR ACTIVITY PALAU PHARMA, S.A. (ES) 2007-03-22 WO disclosed