SCHEMBL4038883

SCHEMBL4038883

Cn1cc(S(C)(=O)=O)cc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n1ccnc21

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
SCHEMBL5410819 0.90
SCHEMBL4040804 0.88
SCHEMBL4037808 0.88
SCHEMBL4039330 0.87
SCHEMBL5409617 0.85
SCHEMBL5447504 0.84
SCHEMBL13945427 0.81
SCHEMBL5400101 0.80
SCHEMBL4039349 0.79
SCHEMBL4039554 0.79

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP claimed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US claimed
JP-2007502307-A 2007-02-08 JP claimed
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) ASTRAZENECA AB (SE) 2006-11-09 US claimed
EP-1664052-A1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2006-06-07 EP claimed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 WO claimed
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) ASTRAZENECA AB (SE) 2006-11-09 US disclosed
EP-1664052-A1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 WO disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed