SCHEMBL4221010

SCHEMBL4221010

NCCNc1nc(N)cc(C2Cc3ccccc3C2)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.38
NPY5R Q15761 1/20 0.38
HRH4 Q9H3N8 3/20 0.36
APP P05067 2/20 0.35
HDAC1 Q13547 3/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
CXCR4 P61073 1/20 0.32

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
SCHEMBL602599 0.78 HRH4 (0.47) HRH4
SCHEMBL11219384 0.74 HRH4 (0.41) NPY1RNPY5RHRH4PRKCHPRKCE
SCHEMBL3996679 0.67 HRH4 (0.39) HRH4
SCHEMBL8281898 0.62 ALDH1A1 (0.47)
SCHEMBL430482 0.62 CXCR4 (0.40) CXCR4
SCHEMBL7204411 0.61 CXCR4 (0.55) HRH4CXCR4
SCHEMBL2087271 0.61 GRIN2D (0.46)
SCHEMBL8264050 0.61 XDH (0.51)
SCHEMBL10485477 0.61 NPY1R (0.36) NPY1RNPY5RAPPCXCR4
SCHEMBL18263432 0.60 GRIN2B (0.61)

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 disclosed
WO-2008100565-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed