SCHEMBL1742500

SCHEMBL1742500

O=C(O)N[C@@H](CO)CC(c1ccc(C(F)(F)F)cc1)c1ncc(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.38
AKT1 P31749 4/20 0.38
CTSA P10619 1/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
FFAR1 O14842 2/20 0.34
SYK P43405 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PDE2A O00408 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
WNT1 P04628 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1741924 0.87 CTSA (0.36) CDK2AKT1CTSAFFAR1GSK3B
SCHEMBL1742039 0.81 PTPRB (0.37) CDK2AKT1CTSAAKR1C3AKR1C2
SCHEMBL1744260 0.80 AKT1 (0.43) CDK2AKT1CTSAFFAR1
SCHEMBL2544079 0.79 CDK2 (0.36) CDK2AKT1CTSAAKR1C3AKR1C2
SCHEMBL1744296 0.76 AKT1 (0.45) CDK2AKT1FFAR1SYKGSK3B
SCHEMBL2545074 0.76 AKT1 (0.38) CDK2AKT1FFAR1SYKGSK3B
SCHEMBL3708170 0.76 AKT1 (0.45) CDK2AKT1FFAR1SYKGSK3B
SCHEMBL2545072 0.76 AKT1 (0.38) CDK2AKT1FFAR1SYKGSK3B
SCHEMBL1743812 0.75 CDK2 (0.33) CDK2AKT1CTSAFFAR1GSK3B
SCHEMBL1595972 0.72 AKT1 (0.63) CDK2AKT1FFAR1HDAC1

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