SCHEMBL860990

SCHEMBL860990

[AsH2]C1CCN(c2cnnc(NCc3ccccn3)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.44
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
VCP P55072 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL860989 1.00 HRH4 (0.44) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL1588799 0.87 HRH4 (0.47) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL860374 0.86 HRH4 (0.47) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL860375 0.86 HRH4 (0.47) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL1588807 0.85 HRH4 (0.64) HRH4
SCHEMBL12703496 0.85 HRH4 (0.64) HRH4
SCHEMBL19458865 0.85 HRH4 (0.64) HRH4
SCHEMBL1588872 0.81 HRH4 (0.51) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL847369 0.80 HRH4 (0.58) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL861160 0.78 HRH4 (0.48) HRH4NPC1RAB9AKDM4EHPGD

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