SCHEMBL13286160

SCHEMBL13286160

CC(C)(C)OC(=O)N[C@H](CCc1ncc(-c2ccc3cnc(F)cc3c2)s1)[C@@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.37
CDK2 P24941 3/20 0.37
PDPK1 O15530 1/20 0.35
GSK3B P49841 4/20 0.34
DYRK1A Q13627 4/20 0.34
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SYK P43405 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
WNT1 P04628 2/20 0.31
PTPRB P23467 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
P2RY2 P41231 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
SCHEMBL12241689 0.93 PDPK1 (0.36) PDPK1GSK3BDYRK1ASYKAAK1
SCHEMBL2545072 0.89 AKT1 (0.38) AKT1CDK2GSK3BDYRK1ASYK
SCHEMBL2545074 0.89 AKT1 (0.38) AKT1CDK2GSK3BDYRK1ASYK
SCHEMBL2549646 0.86 AKT1 (0.42) AKT1CDK2PDPK1GSK3BDYRK1A
SCHEMBL1744751 0.84 CDK2 (0.35) AKT1CDK2PDPK1GSK3BDYRK1A
SCHEMBL2546671 0.84 CDK2 (0.35) AKT1CDK2PDPK1GSK3BDYRK1A
SCHEMBL12241690 0.82 PDPK1 (0.34) PDPK1GSK3BDYRK1ASYKAAK1
SCHEMBL12266702 0.81 AKT1 (0.42) AKT1CDK2
SCHEMBL2544075 0.80 CDK2 (0.34) AKT1CDK2GSK3BDYRK1APPARG
SCHEMBL2547011 0.80 CDK2 (0.34) AKT1CDK2GSK3BDYRK1APPARG

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