SCHEMBL5813952

SCHEMBL5813952

Cc1nc(-c2ccccc2)c(CC(=O)NS(=O)(=O)c2ccc(F)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
ERBB2 P04626 3/20 0.54
PTGDR2 Q9Y5Y4 8/20 0.53
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL5820276 0.89 PTGDR2 (0.65) EGFRERBB2PTGDR2GAAMAPT
SCHEMBL5819527 0.86 GAA (0.47) PTGDR2GAAMAPT
SCHEMBL5815533 0.83 PTGDR2 (0.69) EGFRERBB2PTGDR2GAAMAPT
SCHEMBL5820644 0.79 EGFR (0.53) EGFRERBB2
SCHEMBL5544242 0.78 PTGDR2 (0.76) PTGDR2GAAMAPT
SCHEMBL348219 0.72 AR (0.48) EGFRERBB2PTGDR2GAAMAPT
Trifluoroacetic Acid SCHEMBL4092194 0.70 AR (0.44) EGFRERBB2PTGDR2GAAMAPT
SCHEMBL13997494 0.70 TRPM8 (0.62) PTGDR2GAAMAPT
SCHEMBL28616617 0.69 CYP1A2 (0.49) PTGDR2GAAMAPT
SCHEMBL5815917 0.69 NTRK1 (0.65) PTGDR2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed