SCHEMBL1744902

SCHEMBL1744902

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)F)cc1)CN(C(=O)O)c1nc(C(C)(C)C)c(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN1 P18031 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP3A4 P08684 5/20 0.31
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30

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
SCHEMBL1743842 0.92 AKT1 (0.36) ATMPTPRBPTPN1GSK3BDYRK1A
SCHEMBL2547827 0.89 PTPRB (0.37) ATMPTPRBPTPN1GSK3BDYRK1A
SCHEMBL2547825 0.89 PTPRB (0.37) ATMPTPRBPTPN1GSK3BDYRK1A
SCHEMBL1743902 0.88 GSK3B (0.30) GSK3BDYRK1A
SCHEMBL1744901 0.84 PTPRB (0.35) ATMPTPRBPTPN1GSK3BDYRK1A
SCHEMBL2546675 0.82 CDK2 (0.32) GSK3BDYRK1A
SCHEMBL1742991 0.82 AAK1 (0.31) GSK3BDYRK1A
SCHEMBL2550295 0.81 AKT1 (0.40) ATMPTPRBGSK3BDYRK1A
SCHEMBL2550309 0.81 AKT1 (0.40) ATMPTPRBGSK3BDYRK1A
SCHEMBL1742953 0.81 GSK3B (0.37) GSK3BDYRK1A

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
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed