SCHEMBL341729

SCHEMBL341729

Oc1n[c]ccn1

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
SCHEMBL4695390 0.71
SCHEMBL448358 0.67
SCHEMBL5797590 0.67
SCHEMBL5759531 0.67
SCHEMBL3130809 0.67
SCHEMBL446545 0.67
SCHEMBL449028 0.67
SCHEMBL184122 0.65 CYP2A6 (0.30)
SCHEMBL3714934 0.64
SCHEMBL14989748 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
US-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
US-20080171706-A1 Anti-Adhesive Compounds to Prevent and Treat Bacterial Infections VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2008-07-17 US claimed
WO-2008067218-A1 ELECTRONICALLY TUNED LIGANDS FOR ASYMMETRIC HYDROGENATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-05 WO claimed
EP-1755619-A2 ANTI-ADHESIVE COMPOUNDS TO PREVENT AND TREAT BACTERIAL INFECTIONS VIB vzw (BE) 2007-02-28 EP claimed
WO-2005089733-A2 ANTI-ADHESIVE COMPOUNDS TO PREVENT AND TREAT BACTERIAL INFECTIONS VIB VZW (BE) 2005-09-29 WO claimed
US-6316620-B1 AS LIGANDS TO TRANSITION METALS WHICH ARE USED AS CATALYSTS IN SYNTHESIZING ASYMMETRIC COMPOUNDS TO OBTAIN SPECIFIC ENANTIOMERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-13 US claimed
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US claimed
EP-0298040-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1992-08-26 EP claimed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP claimed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US claimed