SCHEMBL860375

SCHEMBL860375

[AsH2]C1CCN(c2ccnc(NCc3ccccn3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.47
VCP P55072 1/20 0.39
ACACB O00763 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
OGA O60502 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL860374 1.00 HRH4 (0.47) HRH4VCPACACBKDM4ENPC1
SCHEMBL19458962 0.86 HRH4 (0.64) HRH4VCPACACBKDM4ENPC1
SCHEMBL1588370 0.86 HRH4 (0.64) HRH4VCPACACBKDM4ENPC1
SCHEMBL860990 0.86 HRH4 (0.44) HRH4VCPKDM4ENPC1TP53
SCHEMBL860989 0.86 HRH4 (0.44) HRH4VCPKDM4ENPC1TP53
SCHEMBL19459026 0.84 HRH4 (0.66) HRH4
SCHEMBL846866 0.84 HRH4 (0.66) HRH4
SCHEMBL15721559 0.83 ADORA2A (0.50) HRH4KDM4ENPC1TP53HPGD
SCHEMBL1588699 0.79 HRH4 (0.53) HRH4KDM4ENPC1TP53HPGD
SCHEMBL846957 0.79 HRH4 (0.60) HRH4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524363-A 2011-09-01 JP claimed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP claimed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO claimed