SCHEMBL338725

SCHEMBL338725

O=c1nccc[nH]1.[N]

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
SCHEMBL1414022 0.97 POLB (0.41)
SCHEMBL1460 0.97
SCHEMBL28302405 0.95
Fluoride SCHEMBL28204776 0.95
SCHEMBL28094435 0.95
Hydrogen Sulfide SCHEMBL28847244 0.95
Hydrochloric Acid SCHEMBL865815 0.95
Bromide SCHEMBL30767150 0.95
SCHEMBL7569502 0.95
Hydrochloric Acid SCHEMBL10435844 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804607-B1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2020-09-16 EP disclosed
US-20160311810-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2016-10-27 US disclosed
US-9475799-B1 Synthesis of Raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-10-25 US disclosed
US-9403809-B2 Synthesis of raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-08-02 US disclosed
US-20150045554-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2015-02-12 US disclosed
EP-2804607-A2 SYNTHESIS OF RALTEGRAVIR Emcure Pharmaceuticals Limited (IN) 2014-11-26 EP disclosed
WO-2013098854-A2 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2013-07-04 WO disclosed
US-8097619-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2012-01-17 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
EP-1226144-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP disclosed
EP-1178970-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS Pharmacia Corporation (US) 2002-02-13 EP disclosed
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
EP-1121363-A2 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-08-08 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029041-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000021926-A2 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 WO disclosed