SCHEMBL4651689

SCHEMBL4651689

COc1n[c]nc(Cl)n1

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
SCHEMBL187430 0.82 MEN1 (0.35)
SCHEMBL9818504 0.76
SCHEMBL8168218 0.76 POLB (0.35)
SCHEMBL11152741 0.76 TSHR (0.31)
SCHEMBL397682 0.73
SCHEMBL4649893 0.71
SCHEMBL6293381 0.71
SCHEMBL8795 0.71 CYP1A2 (0.52)
SCHEMBL329417 0.71 CYP1A2 (0.52)
SCHEMBL9627204 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US claimed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP claimed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO claimed
US-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US claimed
EP-0246749-A2 Triazole herbicides AgrEvo UK Limited (GB) 1987-11-25 EP claimed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
EP-1397438-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-09-10 EP disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
CN-1817971-A Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2006-08-16 CN disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
US-4968341-A PRE-AND POSTEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-11-06 US disclosed
US-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US disclosed
EP-0268688-A1 SUBSTITUTED ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-06-01 EP disclosed
EP-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 WO disclosed
EP-0053743-B1 REACTIVE DIOXAZINE DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS CONTAINING HYDROXYLE OR AMIDE GROUPS BAYER AG (DE) 1986-05-14 EP disclosed
US-4400504-A DYEING AND PRINTING CELLULOSE AND POLYAMIDE AND-URETHANE FIBERS; TRIAZINE, PYRIDINE AND PYRIMIDINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
EP-0053743-A2 Reactive dioxazine dyestuffs, process for their preparation and their use in dyeing and printing fibrous materials containing hydroxyle or amide groups BAYER AG (DE) 1982-06-16 EP disclosed