SCHEMBL2834448

SCHEMBL2834448

Cn1ccnc1/C=N/O

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
SCHEMBL5206030 1.00
SCHEMBL10469226 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
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
US-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-12-02 US disclosed
US-7824661-B2 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
EP-1718342-A4 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2009-07-22 EP disclosed
EP-1713515-A4 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2009-07-22 EP disclosed
US-20090148382-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-06-11 US 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
EP-1718342-A1 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2006-11-08 EP disclosed
EP-1713515-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2006-10-25 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
US-20060093552-A1 Technetium-and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2006-05-04 US disclosed
US-20060034758-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
WO-2005079865-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS (US) 2005-09-01 WO disclosed
WO-2005079866-A1 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS (US) 2005-09-01 WO 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