SCHEMBL5209929

SCHEMBL5209929

CC(C)n1nc(CNS(C)(=O)=O)c(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL5208094 0.85 POLB (0.36) FLT1KDR
SCHEMBL5210884 0.84 ATM (0.34) FLT1KDRMALT1
SCHEMBL5211288 0.83 FLT1 (0.35) FLT1KDR
Hydrochloric Acid SCHEMBL5207976 0.83 FLT1 (0.35) FLT1KDR
SCHEMBL5208158 0.83 FLT1 (0.35) FLT1KDR
SCHEMBL5208166 0.80 FLT1 (0.34) FLT1KDR
SCHEMBL5244657 0.80 FLT1 (0.37) FLT1KDR
SCHEMBL5211498 0.79 FLT1 (0.32) FLT1KDR
SCHEMBL5244652 0.79 FLT1 (0.34) FLT1KDR
SCHEMBL5212152 0.79 SLC16A3 (0.32) FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401826-B1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed
EP-1401826-A1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP claimed
US-6538015-B1 Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is HOFFMANN-LA ROCHE INC. 2003-03-25 US claimed
WO-2002100853-A1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-19 WO claimed
EP-1401826-B1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1401826-A1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-6538015-B1 Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is HOFFMANN-LA ROCHE INC. 2003-03-25 US disclosed
WO-2002100853-A1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-19 WO disclosed