SCHEMBL2277808

SCHEMBL2277808

C[CH][C@](C)(O)C(N)=O

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
SCHEMBL14738075 1.00
SCHEMBL3812922 1.00
SCHEMBL9028492 0.74
SCHEMBL29201837 0.73
SCHEMBL1370896 0.73
SCHEMBL15755865 0.70
SCHEMBL14795081 0.70
SCHEMBL1939191 0.70
SCHEMBL14795135 0.70
SCHEMBL14795247 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US claimed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP claimed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
EP-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP disclosed
WO-2008068171-A9 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2009-07-16 WO disclosed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US disclosed
WO-2008068171-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed