SCHEMBL3708170

SCHEMBL3708170

O=C(O)N[C@H](CCc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.45
CDK2 P24941 7/20 0.45
FFAR1 O14842 3/20 0.38
SYK P43405 1/20 0.37
SGK1 O00141 1/20 0.37
PPARD Q03181 3/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
FFAR2 O15552 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL1744296 1.00 AKT1 (0.45) AKT1CDK2FFAR1SYKSGK1
SCHEMBL2549646 0.89 AKT1 (0.42) AKT1CDK2FFAR1SYKSGK1
SCHEMBL2545072 0.84 AKT1 (0.38) AKT1CDK2FFAR1SYKFFAR2
SCHEMBL2545074 0.84 AKT1 (0.38) AKT1CDK2FFAR1SYKFFAR2
SCHEMBL12266153 0.83 AKT1 (0.57) AKT1CDK2SGK1
SCHEMBL1742573 0.83 AKT1 (0.57) AKT1CDK2SGK1
SCHEMBL1744260 0.82 AKT1 (0.43) AKT1CDK2FFAR1SGK1PPARD
SCHEMBL1744259 0.82 AKT1 (0.43) AKT1CDK2FFAR1SYKSGK1
SCHEMBL2544590 0.82 AKT1 (0.43) AKT1CDK2FFAR1SYKSGK1
SCHEMBL12241774 0.82 PTPRB (0.38) AKT1CDK2SYKGSK3BDYRK1A

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