SCHEMBL19646533

SCHEMBL19646533

C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.43
JAK1 P23458 16/20 0.43
JAK3 P52333 16/20 0.43
DGAT1 O75907 3/20 0.39
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL2384364 1.00 JAK2 (0.43) JAK2JAK1JAK3DGAT1PDE10A
SCHEMBL2384374 1.00 JAK2 (0.43) JAK2JAK1JAK3DGAT1PDE10A
SCHEMBL1371116 0.93 JAK2 (0.50) JAK2JAK1JAK3DGAT1PDE10A
SCHEMBL2385140 0.91 JAK2 (0.54) JAK2JAK1JAK3DGAT1
SCHEMBL2385148 0.91 JAK2 (0.54) JAK2JAK1JAK3DGAT1
SCHEMBL17403295 0.90 JAK1 (0.40) JAK2JAK1JAK3DGAT1
SCHEMBL2385721 0.90 JAK2 (0.43) JAK2JAK1JAK3DGAT1
SCHEMBL2386433 0.89 DGAT1 (0.40) JAK2JAK1JAK3DGAT1
SCHEMBL2386430 0.89 DGAT1 (0.40) JAK2JAK1JAK3DGAT1
SCHEMBL12449399 0.88 JAK2 (0.53) JAK2JAK1JAK3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed