SCHEMBL5367429

SCHEMBL5367429

Fc1cccc(-c2nn3cc(C(F)(F)F)ccc3c2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
TRPA1 O75762 2/20 0.46
MAT2A P31153 2/20 0.40
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ICMT O60725 1/20 0.34
ERBB2 P04626 1/20 0.34
CSNK1E P49674 2/20 0.34
CYP11B2 P19099 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL5393887 0.86 TRPA1 (0.47) MAPK14TRPA1MAT2AKDM4EHSD17B10
SCHEMBL5385676 0.85 MAPK14 (0.50) MAPK14TRPA1KDM4ETDP1
SCHEMBL5364802 0.83 MAPK14 (0.66) MAPK14KDM4ENR3C1PGRCSNK1E
SCHEMBL6594341 0.83 MAPK14 (0.45) MAPK14KDM4E
SCHEMBL5373880 0.82 MAPK14 (0.44) MAPK14TRPA1MAT2APTPN1ICMT
SCHEMBL5382399 0.82 MAPK14 (0.59) MAPK14CSNK1ECSNK1D
SCHEMBL5384291 0.80 MAPK14 (0.46) MAPK14TRPA1NR3C1ICMT
SCHEMBL5370450 0.78 TRPA1 (0.44) MAPK14TRPA1MAT2ACSNK1ECSNK1D
SCHEMBL5385623 0.77 MAPK14 (0.51) MAPK14MAT2AKDM4EPTPN1CSNK1E
SCHEMBL5366953 0.77 MAPK14 (0.54) MAPK14PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US disclosed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP disclosed
EP-1157025-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2004-03-10 EP disclosed
US-6498166-B1 POTENT AND SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2; TREATING PAIN, FEVER AND INFLAMMATION SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1157025-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2001-11-28 EP disclosed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP disclosed
WO-2000052008-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2000-09-08 WO disclosed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO disclosed