SCHEMBL5210534

SCHEMBL5210534

CC(C)n1nc(CO)c(COCc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.35

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
SCHEMBL5211288 0.88 FLT1 (0.35)
SCHEMBL5239960 0.87 GRM5 (0.34) GRM5
SCHEMBL5239947 0.86 GRM5 (0.32) GRM5
SCHEMBL5209007 0.82 MRGPRX4 (0.35) GRM5
SCHEMBL14564994 0.82 FLT1 (0.33)
SCHEMBL5211303 0.82 KDM4E (0.33)
SCHEMBL5209455 0.81 CYP1A2 (0.31)
SCHEMBL5211738 0.81 POLB (0.33)
SCHEMBL5207787 0.81 FLT1 (0.33)
SCHEMBL5210120 0.79 CNR1 (0.32) GRM5

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 7 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
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