SCHEMBL5206030

SCHEMBL5206030

Cn1ccnc1C=NO

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
SCHEMBL10469226 1.00
SCHEMBL2834448 1.00
SCHEMBL1254916 0.83 LPO (0.43)
SCHEMBL19999314 0.81
SCHEMBL4256486 0.78 LPO (0.39)
SCHEMBL4259643 0.78 LPO (0.39)
SCHEMBL213036 0.76 LPO (0.38)
SCHEMBL213035 0.76 LPO (0.38)
SCHEMBL12483005 0.76 PTP4A3 (0.39)
SCHEMBL15871029 0.75 LPO (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256438-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (hBChE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM UNIV CALIFORNIA (US) 2016-09-08 US claimed
EP-3057582-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (BCHE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM The Regents of the University of California (US) 2016-08-24 EP claimed
WO-2015057822-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (BCHE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-23 WO claimed
CN-110088104-B Tetrahydropyridopyrimidine compounds for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
US-10968218-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US disclosed
EP-3535261-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
US-20200062748-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-02-27 US disclosed
EP-3535261-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2019-09-11 EP disclosed
CN-110088104-A For treating and preventing hepatitis b virus infected new tetrahydropyridine and pyrimidine compound 豪夫迈·罗氏有限公司 2019-08-02 CN disclosed
US-10172831-B2 Catalytic scavengers of organophosphates to potentiate butyrylcholinesterase (hBChE) as a catalytic bioscavenger and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-08 US disclosed
US-20160256438-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (hBChE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM UNIV CALIFORNIA (US) 2016-09-08 US disclosed
WO-2015057822-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (BCHE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-23 WO disclosed
CN-1972719-A Technetium-and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARM INC (US) 2007-05-30 CN disclosed
EP-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1585743-A1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER INC. (US) 2005-10-19 EP disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004056806-A1 2-(1H-INDAZOL-6-YLAMINO)-BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTALMIC DISEASES PFIZER INC. (US) 2004-07-08 WO disclosed
US-4925856-A Aldoxime-substituted imidazolium derivatives useful in the treatment of poisoning by phosphorus-containing chemicals SRI INTERNATIONAL (US) 1990-05-15 US disclosed