SCHEMBL3780133

SCHEMBL3780133

CC(C)(C)OC(=O)N[C@@H](Cc1cnc(F)c(Cl)c1)CN(C(=O)O)c1ncc(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.33
GSK3B P49841 3/20 0.33
PTPRB P23467 1/20 0.33
WNT1 P04628 3/20 0.32
ATM Q13315 1/20 0.32
PTPN1 P18031 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CYP3A4 P08684 1/20 0.30
PDPK1 O15530 1/20 0.30
SYK P43405 1/20 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
SCHEMBL3780135 1.00 DYRK1A (0.33) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL1743901 0.94 GSK3B (0.33) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL1743902 0.90 GSK3B (0.30) DYRK1AGSK3B
SCHEMBL2548917 0.87 PTPRB (0.34) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2548919 0.87 PTPRB (0.34) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2547827 0.87 PTPRB (0.37) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2550295 0.87 AKT1 (0.40) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2550309 0.87 AKT1 (0.40) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2547825 0.87 PTPRB (0.37) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2549043 0.86 DYRK1A (0.34) DYRK1AGSK3BPTPRBWNT1ATM

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
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed