SCHEMBL582082

SCHEMBL582082

[C]1COc2ncccc21

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3676235 0.80 ACHE (0.33)
SCHEMBL5255973 0.68 CHRNB4 (0.36)
SCHEMBL12273600 0.67
SCHEMBL2317957 0.64 LTA4H (0.37)
SCHEMBL158579 0.64
SCHEMBL3668283 0.64
SCHEMBL31193181 0.62 CHRNB4 (0.50)
SCHEMBL37725 0.61 CYP19A1 (0.33)
SCHEMBL577648 0.61 CYP19A1 (0.33)
SCHEMBL29945033 0.61 ITGB2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536692-B1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
EP-3536692-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-09-11 EP disclosed
EP-3173413-B1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2019-05-01 EP disclosed
US-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9796725-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 US disclosed
EP-3173413-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2017-05-31 EP disclosed
US-9663525-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9593121-B2 Indole substituted pyrrolopyrimidinyl inhibitors of Uba6 MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
WO-2013123169-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 WO disclosed
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC. 2012-04-19 US disclosed
US-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS ,INC (US) 2012-04-12 US disclosed
EP-2417115-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
EP-2416660-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2010118155-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2010118159-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed