SCHEMBL2039261

SCHEMBL2039261

CCC(CC(=O)O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 19/20 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
SCHEMBL2041450 0.87 CTSA (0.46) CTSA
SCHEMBL1847872 0.85 CTSA (0.38) CTSA
SCHEMBL7825710 0.82 CTSA (0.47) CTSA
SCHEMBL1975745 0.82 FBP1 (0.39) CTSA
SCHEMBL21525583 0.79 CTSA (0.50) CTSA
SCHEMBL21552119 0.76 CTSA (0.45) CTSA
SCHEMBL6175673 0.76 CTSA (0.45) CTSA
SCHEMBL6177067 0.76 CTSA (0.45) CTSA
SCHEMBL6179589 0.76 CTSA (0.45) CTSA
SCHEMBL6179952 0.76 ALDH1A1 (0.44) CTSA

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
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed