SCHEMBL8315513

SCHEMBL8315513

N#Cc1[c]ccc(Br)c1CBr

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
SCHEMBL21808019 0.73
SCHEMBL979388 0.68
SCHEMBL28010060 0.65
SCHEMBL27543267 0.65 DYRK1A (0.39)
SCHEMBL30568075 0.65 DYRK1A (0.42)
SCHEMBL2780319 0.65 DYRK1A (0.42)
SCHEMBL31039568 0.64 TRPA1 (0.33)
SCHEMBL12391372 0.64 TRPA1 (0.33)
SCHEMBL28232147 0.64 CYP2A6 (0.33)
SCHEMBL21808028 0.62 IMPDH2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
EP-0628045-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017023-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed