SCHEMBL13286102

SCHEMBL13286102

CC(C)(C)OC(=O)NC(Cc1ccc2c(c1)OCCO2)CN(C(=O)OC(C)(C)C)c1ncc(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.34
GSK3B P49841 5/20 0.34
PDPK1 O15530 1/20 0.34
WNT1 P04628 5/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLIN1 O60240 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PLIN5 Q00G26 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL12241747 1.00 DYRK1A (0.34) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL2549038 0.94 DYRK1A (0.34) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL2549043 0.94 DYRK1A (0.34) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL1744901 0.87 PTPRB (0.35) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL1743840 0.87 AKT1 (0.40) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL2549583 0.86 MLYCD (0.37) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL1743901 0.86 GSK3B (0.33) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL12266678 0.86 DYRK1A (0.33) DYRK1AGSK3BPDPK1WNT1PTPN1
SCHEMBL1743885 0.83 HDAC1 (0.35) SMN1; SMN2CYP1A2CYP2D6HDAC1
SCHEMBL13286161 0.83 HDAC1 (0.35) SMN1; SMN2CYP1A2CYP2D6HDAC1

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