SCHEMBL2303245

SCHEMBL2303245

S=C1C=CC(Cl)=[C]C1

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
SCHEMBL15155203 0.55
SCHEMBL27679199 0.54
SCHEMBL7223217 0.41
Calcium Chloride SCHEMBL23803973 0.41
SCHEMBL4634313 0.40
1,4-Dichlorobenzene SCHEMBL5414363 0.38
SCHEMBL5747306 0.38
Calcium Chloride SCHEMBL28460031 0.38
Calcium Chloride SCHEMBL27973574 0.38
Calcium Chloride SCHEMBL28534468 0.38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US claimed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US claimed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US claimed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US claimed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US claimed
JP-2009506015-A 2009-02-12 JP claimed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP claimed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO claimed
US-9282741-B2 Aniline type compounds BASF SE (DE) 2016-03-15 US disclosed
US-20150216166-A1 Aniline Type Compounds BASF SE (DE) 2015-08-06 US disclosed
US-9006485-B2 Aniline type compounds BASF SE (DE) 2015-04-14 US disclosed
US-8921567-B2 Process for preparing N-substituted 1H-pyrazole-5-carbonylchloride compounds BASF SE (DE) 2014-12-30 US disclosed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
EP-2742035-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBONYLCHLORIDE COMPOUNDS BASF SE (DE) 2014-06-18 EP disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US disclosed
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO disclosed