SCHEMBL4745258

SCHEMBL4745258

N=C1C(N)=NC(N)=CC1N

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
SCHEMBL12328032 0.55
SCHEMBL18300214 0.50
SCHEMBL13937854 0.46
SCHEMBL11977614 0.46
SCHEMBL10072613 0.46
SCHEMBL14401563 0.45
SCHEMBL19594928 0.41
SCHEMBL6014437 0.40
SCHEMBL8004943 0.40
SCHEMBL12432547 0.39

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008115990-A1 METHODS OF PREPARATION AND RESOLUTION OF E/Z ISOMERS OF VINYLFURO[2,3-D] PYRIMIDINE AND THEIR BIOLOGICAL ACTIVITIES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2008-09-25 WO disclosed
US-20070238742-A1 METHODS OF PREPARATION AND RESOLUTION OF E/Z ISOMERS OF VINYLFURO[2,3-D]PYRIMIDINE AND THEIR BIOLOGICAL ACTIVITIES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-11 US disclosed
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 US disclosed
US-6696455-B1 NITROGEN COMPOUNDS SUCH AS 6-CHLORO-2-METHYL-4-OXO-PYRIDO (3,2-D)PYRIMIDINE USED AS ANTICARCINOGENIC AGENTS AND/OR FOR PROPHYLAXIS OF INFECTIONS CAUSED BY PNEUMOCYSTIS OR TOXOPLASMA DUQUESNE UNIVERSITY OF THE HOLY GHOST 2004-02-24 US disclosed
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2003-07-31 US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 US disclosed
US-6518426-B1 Novel pyrrolo(3,2-d)pyrimidine derivatives of the following general formula compounds are useful in the treatment of bacterial infections such as Toxoplasmosis gondii and Pneumocystis carinii, and various types of cancer, DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-02-11 US disclosed
US-6420370-B1 ANTITUMOR, ANTIBIOTIC, ANTIMALARIAL, ANTIFUNGAL OR ANTIPROTOZOAL AGENTS, OR AS SYNERGISTIC AGENTS ENZYME INHIBITORS DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-07-16 US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 US disclosed
US-6096750-A Furopyrimidines and methods of making and using the same derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-01 US disclosed
US-6077844-A FOR TREATING ILLNESSES SUCH AS CANCER, AND SECONDARY INFECTIONS CAUSED BY PNEUMOCYSTIS CARINII AND TOXOPLASMOSIS GONDII IN IMMUNOCOMPROMISED PATIENTS DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-06-20 US disclosed
US-5958930-A TREATING CANCER, AND SECONDARY INFECTIONS CAUSED BY PNEUMOCYSTIS CARINII AND TOXOPLASMOSIS GONDII IN IMMUNOCOMPROMISED PATIENTS. DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-09-28 US disclosed
US-5939420-A BACTERICIDES CAUSED BY PNEUMOCYSTIS AND TOXOPLASMOSIS, ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-08-17 US disclosed
US-5877178-A AIDS THERAPY DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-03-02 US disclosed
US-5866580-A TREATING AN ILLNESS CAUSED BY P. CARINII AND T. GONDII DUGUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-02-02 US disclosed
US-5863920-A ANTICARCINOGENIC AGENTS AND BACTERICIDES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-01-26 US disclosed
US-5508281-A TREATING ILLNESS CAUSED BY PNEUMOCYSTIS CARINII OR TOXOPLASMOSIS GONDII DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1996-04-16 US disclosed
US-5346900-A Reductase inhibitors active against Pneumocystis and Toxoplasmosis DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1994-09-13 US disclosed
WO-1992017478-A1 5-ALKYL-6-[[AMINO]METHYL]PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF PREPARING AND USING THESE DERIVATIVES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1992-10-15 WO disclosed