SCHEMBL3821089

SCHEMBL3821089

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nc(-c3cccc(C(=O)NCc4ccccn4)c3)cnc2N)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.54
ATR Q13535 8/20 0.51
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL3459975 0.91 USP30 (0.55) USP30ATR
SCHEMBL3462390 0.89 ATR (0.55) ATR
SCHEMBL3460822 0.89 ATR (0.54) ATR
SCHEMBL3831526 0.88 USP30 (0.49) USP30ATR
SCHEMBL3459791 0.88 USP30 (0.49) USP30ATR
SCHEMBL3460934 0.87 USP30 (0.49) USP30ATRLMNA
SCHEMBL3461563 0.86 ATR (0.58) USP30ATRLMNA
SCHEMBL3461383 0.86 USP30 (0.48) USP30ATR
SCHEMBL3460686 0.86 USP30 (0.48) USP30ATR
SCHEMBL3462372 0.86 ATR (0.59) USP30ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO disclosed