SCHEMBL3398798

SCHEMBL3398798

CC(C)(C=O)Cc1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CCC(S(C)(=O)=O)C4)c3)nc12

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.34

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
SCHEMBL3395447 0.89 DGAT1 (0.36) DGAT1
SCHEMBL3394446 0.86 DGAT1 (0.33) DGAT1
SCHEMBL2272892 0.85 DGAT1 (0.37) DGAT1
SCHEMBL3394044 0.83 DGAT1 (0.37) DGAT1
SCHEMBL3395725 0.83 DGAT1 (0.34) DGAT1
SCHEMBL3399612 0.81 DGAT1 (0.34) DGAT1
SCHEMBL3391911 0.79 DGAT1 (0.30) DGAT1
SCHEMBL3399453 0.79 JAK3 (0.36) DGAT1
SCHEMBL3398477 0.77 DGAT1 (0.32) DGAT1
SCHEMBL3395608 0.77 DGAT1 (0.32) DGAT1

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-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed