SCHEMBL29907245

SCHEMBL29907245

COC(=O)c1c(F)c(F)cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 8/20 0.56
ACLY P53396 4/20 0.50
CCR4 P51679 7/20 0.47
CCR2 P41597 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL27139881 1.00 PTGES2 (0.56) PTGES2ACLYCCR4CCR2
SCHEMBL27146412 0.87 PTGES2 (0.59) PTGES2ACLYCCR2
SCHEMBL29907264 0.87 PTGES2 (0.59) PTGES2ACLYCCR2
SCHEMBL29907260 0.78 PTGES2 (0.67) PTGES2ACLYCCR4CCR2
SCHEMBL27143523 0.78 PTGES2 (0.67) PTGES2ACLYCCR4CCR2
SCHEMBL3985762 0.76 TSHR (0.55) PTGES2ACLYCCR2
SCHEMBL27152893 0.74 PTGES2 (0.57) PTGES2ACLYCCR4CCR2
SCHEMBL17599356 0.73 ACLY (0.51) PTGES2ACLY
SCHEMBL7852262 0.72 PTGES2 (0.68) PTGES2ACLYCCR4
SCHEMBL30897292 0.72 PTGES2 (0.61) PTGES2ACLYCCR4CCR2

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-4326723-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-02-28 EP disclosed
EP-4326719-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-02-28 EP disclosed
CN-117177973-A Pyrido [3,2-D ] pyrimidine compounds and their use for the treatment of proliferative disorders 蒙特利尔大学 2023-12-05 CN disclosed
WO-2022221939-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed
WO-2022221940-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed