SCHEMBL3708146

SCHEMBL3708146

CC(C)(C)[Si](C)(C)OC(c1ccc(C(F)(F)F)cc1)C(CCc1ncc(-c2ccc3cnc(F)cc3c2)s1)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.34
AKT1 P31749 3/20 0.34
SYK P43405 1/20 0.34
WNT1 P04628 4/20 0.34
GSK3B P49841 4/20 0.34
DYRK1A Q13627 4/20 0.34
FFAR1 O14842 5/20 0.33
PPARA Q07869 4/20 0.32
PPARD Q03181 4/20 0.32
PPARG P37231 2/20 0.32
PTPN1 P18031 1/20 0.32
CTSA P10619 1/20 0.32
CHRM5 P08912 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL2547011 1.00 CDK2 (0.34) CDK2AKT1SYKWNT1GSK3B
SCHEMBL2547009 1.00 CDK2 (0.34) CDK2AKT1SYKWNT1GSK3B
SCHEMBL1743812 0.87 CDK2 (0.33) CDK2AKT1WNT1GSK3BDYRK1A
SCHEMBL12241690 0.87 PDPK1 (0.34) SYKWNT1GSK3BDYRK1A
SCHEMBL2548525 0.86 CDK2 (0.32) CDK2AKT1SYKFFAR1PPARD
SCHEMBL2545072 0.86 AKT1 (0.38) CDK2AKT1SYKWNT1GSK3B
SCHEMBL2545074 0.86 AKT1 (0.38) CDK2AKT1SYKWNT1GSK3B
SCHEMBL2548361 0.81 FFAR2 (0.33) FFAR1PPARGCTSACHRM5SLC6A3
SCHEMBL2548358 0.81 FFAR2 (0.33) FFAR1PPARGCTSACHRM5SLC6A3
SCHEMBL13286160 0.80 AKT1 (0.37) CDK2AKT1SYKWNT1GSK3B

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