SCHEMBL2061817

SCHEMBL2061817

NC1CCOc2ccccc2O1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
LMNA P02545 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NISCH Q9Y2I1 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAP3K14 Q99558 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
SCHEMBL1890902 0.78 NISCH (0.53) ITGB2ICAM1ITGALHTTNISCH
SCHEMBL8493018 0.77 SMN1; SMN2 (0.61) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL896833 0.77 SMN1; SMN2 (0.61) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL11399163 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL11519392 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL11406989 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL27796077 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29997436 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL6791411 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL8518 0.71 ITGB2 (1.00) ITGB2ICAM1ITGALLMNACRHBP

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4516209-B2 2010-08-04 JP claimed
JP-2007501210-A 2007-01-25 JP claimed
EP-1658280-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2006-05-24 EP claimed
WO-2005014582-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-02-17 WO claimed
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP claimed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO claimed
JP-2003510242-A 2003-03-18 JP claimed
EP-1242424-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-B]PYRIDAZINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-09-25 EP claimed
EP-1155010-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S AstraZeneca AB (SE) 2001-11-21 EP claimed
WO-2001046194-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-B]PYRIDAZINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP claimed
WO-2000049007-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S ASTRAZENECA AB (SE) 2000-08-24 WO claimed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 WO claimed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP claimed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 WO claimed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
WO-2003082295-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY A HETEROCYCLYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP disclosed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO disclosed