SCHEMBL3450207

SCHEMBL3450207

[c]1cc2[nH]cnc2nn1

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
SCHEMBL378443 0.67
SCHEMBL485471 0.62
SCHEMBL855749 0.61
SCHEMBL30055270 0.61 ALDH1A1 (0.44)
SCHEMBL857672 0.61
SCHEMBL17265808 0.59 ALDH1A1 (0.52)
SCHEMBL5170029 0.56 ALDH1A1 (0.59)
SCHEMBL3934678 0.56
SCHEMBL858425 0.56
SCHEMBL128416 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2021-02-18 US disclosed
US-10800769-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-13 US disclosed
EP-3651768-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE Board of Regents, The University of Texas System (US) 2020-05-20 EP disclosed
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE SHANGPHARMA LLC 2020-04-02 US disclosed
US-10392376-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-27 US disclosed
WO-2019014618-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-17 WO disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2137530-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-30 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20070276143-A1 Method for producing optically active compound YAMANO TORU 2007-11-29 US disclosed
EP-1489070-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-08-29 EP disclosed
US-7247732-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US disclosed
US-20060229457-A1 Method for producing optically active compound YAMANO TORU 2006-10-12 US disclosed
US-7084278-B2 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
US-20050107433-A1 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
EP-1489070-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-22 EP disclosed