SCHEMBL2473066

SCHEMBL2473066

CCCCS(=O)(=O)C1NCCCC1NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.36
JAK3 P52333 8/20 0.36
JAK1 P23458 6/20 0.36
DGAT1 O75907 2/20 0.32

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
SCHEMBL2480781 0.96 JAK2 (0.39) JAK2JAK3JAK1DGAT1
SCHEMBL2376895 0.81 JAK2 (0.35) JAK2JAK3JAK1DGAT1
SCHEMBL2375797 0.81 TAS1R3 (0.41) JAK2JAK3JAK1DGAT1
SCHEMBL2375794 0.81 TAS1R3 (0.41) JAK2JAK3JAK1DGAT1
SCHEMBL2375791 0.81 TAS1R3 (0.41) JAK2JAK3JAK1DGAT1
SCHEMBL2378417 0.80 TAS1R3 (0.40) JAK2JAK3JAK1DGAT1
SCHEMBL2377260 0.80 JAK2 (0.35) JAK2JAK3JAK1
SCHEMBL2376119 0.80 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL2377753 0.79 JAK2 (0.32) JAK2JAK3JAK1DGAT1
SCHEMBL2377203 0.79 JAK2 (0.35) JAK2JAK3JAK1DGAT1

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-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed