SCHEMBL4367035

SCHEMBL4367035

C[AsH]C1CCN(c2nc(N)nc(C)c2C)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.63
NUDT1 P36639 1/20 0.35
HRH3 Q9Y5N1 3/20 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
SCHEMBL4367029 1.00 HRH4 (0.63) HRH4NUDT1HRH3
SCHEMBL2580475 0.85 HRH4 (0.47) HRH4NUDT1
SCHEMBL2580470 0.85 HRH4 (0.47) HRH4NUDT1
SCHEMBL601898 0.81 HRH4 (0.67) HRH4HRH3
SCHEMBL601899 0.81 HRH4 (0.67) HRH4HRH3
SCHEMBL603620 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL603621 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL604298 0.70 HRH4 (0.53) HRH4
SCHEMBL14997072 0.70 HRH4 (0.52) HRH4NUDT1
SCHEMBL606008 0.70 HRH4 (0.52) HRH4NUDT1

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-2124560-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008100565-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed