SCHEMBL87733

SCHEMBL87733

C1=CNNC1.C1=CNNC1

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
SCHEMBL5712 0.79
Ether SCHEMBL3720602 0.79
SCHEMBL122521 0.76
SCHEMBL125300 0.60
SCHEMBL570870 0.59
SCHEMBL12028057 0.58
SCHEMBL5228611 0.54
SCHEMBL17319696 0.54
Hydrochloric Acid SCHEMBL504814 0.44
SCHEMBL61422 0.42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670740-B1 AMIDOBENZOTHIAZOLES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-12-30 EP disclosed
EP-2670739-B1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-04-01 EP disclosed
US-8921552-B2 Benzothiazole hybrids useful as anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-30 US disclosed
US-20140039190-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-06 US disclosed
EP-2670739-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2013-12-11 EP disclosed
EP-2670740-A1 AMIDOBENZOTHIAZOLES AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2013-12-11 EP disclosed
WO-2012104875-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-09 WO disclosed
WO-2012104857-A1 AMIDOBENZOTHIAZOLES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-09 WO disclosed
EP-2013207-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2012-04-25 EP disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
WO-2011015829-A1 MODULATION OF MIRNA ACTIVITY CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-02-10 WO disclosed
EP-1575955-B1 PYRROLOBENZODIAZEPINES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LTD (GB) 2011-02-09 EP disclosed
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 US disclosed
EP-2274282-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS Medical Research Council (GB) 2011-01-19 EP disclosed
EP-2270010-A1 11-HYDROXY-5H-PYRROLO[2,1-C][1,4]BENZODIAZEPIN-5-ONE DERIVATIVES AS KEY INTERMEDIATES FOR THE PREPARATION OF C2 SUBSTITUTED PYRROLOBENZODIAZEPINS Spirogen Limited (GB) 2011-01-05 EP disclosed
US-7183298-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-02-27 US disclosed
US-20050154031-A1 5-Ht2b receptor antagonists PHARMAGENE LABORATORIES LIMITED (GB) 2005-07-14 US disclosed
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPO TARGET UK LIMITED, (GB) 2005-04-21 US disclosed