SCHEMBL2480658

SCHEMBL2480658

O=[N+]([O-])c1ccc(OCCBr)cc1.O=[N+]([O-])c1ccc(OCCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PTGS2 P35354 2/20 0.53
LTA4H P09960 1/20 0.53
PTGS1 P23219 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL378659 1.00 KCNH2 (0.55) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL22609255 0.92 KCNH2 (0.56) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL519168 0.91 DRD2 (0.58) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL31493409 0.90 ALDH1A1 (0.56) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL4937120 0.89 HRH3 (0.57) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL6228523 0.88 MAPT (0.65) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL28180194 0.87 HRH3 (0.60) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL28180989 0.87 HRH3 (0.60) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL28180977 0.87 HRH3 (0.60) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL17971426 0.87 HRH3 (0.60) KCNH2DRD2DRD4DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563789-A1 7-(1H-PYRAZOL-4-YL)-1,6-NAPHTHYRIDINE COMPOUNDS AS SYK INHIBITORS Glaxo Group Limited (GB) 2013-03-06 EP disclosed
WO-2011134971-A1 7-(1H-PYRAZOL-4-YL)-1,6-NAPHTHYRIDINE COMPOUNDS AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
EP-2376481-A1 PYRIMIDINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF SYK KINASE Glaxo Group Limited (GB) 2011-10-19 EP disclosed
WO-2010097248-A1 PYRIMIDINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF SYK KINASE GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed