SCHEMBL13675147

SCHEMBL13675147

N#Cc1cc(N2CCOCC2=O)ccc1NC(=O)C1C[C@H](N)CN1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.41
TBK1 Q9UHD2 3/20 0.40
JAK2 O60674 2/20 0.40
PIK3CD O00329 1/20 0.38

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
SCHEMBL13674874 0.81 F10 (0.44) F10TBK1PIK3CD
SCHEMBL3556995 0.81 F10 (0.42) F10TBK1JAK2PIK3CD
SCHEMBL13672295 0.80 F10 (0.47) F10
SCHEMBL3556991 0.78 F10 (0.43) F10TBK1JAK2PIK3CD
Trifluoroacetic Acid SCHEMBL4492676 0.77 F10 (0.44) F10
SCHEMBL4638729 0.76 F10 (0.45) F10PIK3CD
SCHEMBL3551807 0.71 PIK3CD (0.50) F10TBK1PIK3CD
SCHEMBL4639953 0.71 PIK3CD (0.46) F10JAK2PIK3CD
SCHEMBL76130 0.71 F10 (0.57) F10
SCHEMBL76156 0.71 F10 (0.57) F10

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-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed