SCHEMBL1013439

SCHEMBL1013439

C1=CNCN=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
SCHEMBL1651586 0.50
SCHEMBL235060 0.50
Hydrochloric Acid SCHEMBL23295202 0.47
SCHEMBL515026 0.44
SCHEMBL570870 0.44
SCHEMBL108935 0.42
SCHEMBL5573422 0.40
SCHEMBL992571 0.40
SCHEMBL13719381 0.31
SCHEMBL4550531 0.25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP claimed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP claimed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US claimed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US claimed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US claimed
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US claimed
EP-1910273-A2 10-SUBSTITUTED TETRACYCLINES AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
US-20080070096-A1 Proton Conducting Copolymers STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) 2008-03-20 US claimed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US claimed
EP-1778762-B1 PROTON CONDUCTING COPOLYMERS STICHTING ENERGIE (NL) 2007-12-19 EP claimed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO claimed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO claimed
CN-1127490-C As 5-HT1A1, 4-bifunctional cyclohexane derivatives of receptor ligands PF MEDICAMENT (FR) 2003-11-12 CN claimed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US claimed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 WO claimed
EP-1023273-B1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-05 EP claimed
EP-0794949-B1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PF MEDICAMENT (FR) 1998-07-29 EP claimed
EP-0794949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-09-17 EP claimed
WO-1996016949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-06-06 WO claimed
US-3940391-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US claimed