SCHEMBL2322113

SCHEMBL2322113

C#CCN(c1ccc(C(=O)OC(C)(C)C)c(F)c1)C1CCc2cc3nc(C)[nH]c(=O)c3cc21

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
SCHEMBL2322116 1.00
SCHEMBL14454325 1.00
SCHEMBL13255693 0.90
SCHEMBL2318226 0.90 TYMS (0.48)
SCHEMBL2318222 0.90 TYMS (0.48)
SCHEMBL2321024 0.90
Trifluoroacetic Acid SCHEMBL2321020 0.88 TYMS (0.45)
SCHEMBL14454326 0.84 TYMS (0.49)
SCHEMBL8783730 0.83
SCHEMBL8783437 0.83

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213664-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2014-04-30 EP disclosed
EP-1420809-B1 USE OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR TREATING CANCER BTG INT LTD (GB) 2011-09-28 EP disclosed
EP-1421069-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2011-08-10 EP disclosed
EP-2213664-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2010-08-04 EP disclosed
US-7528141-B2 Use of cyclopenta[g]quinazoline derivatives for treating cancer BTG INTERNATIONAL LIMITED (GB) 2009-05-05 US disclosed
US-7250511-B2 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2007-07-31 US disclosed
US-20050009851-A1 Use of cyclopeta[g]quinazoline derivatives for treating cancer BTG INTERNATIONAL LIMITED (GB) 2005-01-13 US disclosed
EP-1421069-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2004-05-26 EP disclosed
WO-2003020706-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[g]QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2003-03-13 WO disclosed