SCHEMBL5740583

SCHEMBL5740583

Cc1ccc(-c2c(CSc3nncn3C)c(C)nc(CC(C)(C)C)c2CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
DPP9 Q86TI2 4/20 0.39
DPP8 Q6V1X1 2/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 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
SCHEMBL5458369 0.92 DPP4 (0.48) DPP4POLBDPP9DPP8RAB9A
SCHEMBL5453642 0.81 DPP4 (0.46) DPP4DPP9DPP8MAPTTP53
Hydrochloric Acid SCHEMBL5446360 0.81 DPP4 (0.56) DPP4DPP9DPP8RAB9ANPC1
SCHEMBL5451962 0.80 DPP4 (0.45) DPP4DPP9DPP8MAPTTP53
SCHEMBL5447087 0.80 DPP4 (0.43) DPP4DPP9DPP8ALDH1A1MAPT
SCHEMBL5445046 0.79 DPP4 (0.42) DPP4POLBMAPK1ATMDPP9
SCHEMBL4113112 0.79 DPP4 (0.66) DPP4DPP9DPP8SMN1; SMN2KMT2A
SCHEMBL5454715 0.78 DPP4 (0.47) DPP4DPP9DPP8
SCHEMBL5451905 0.78 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5740578 0.77 DPP4 (0.40) DPP4DPP9DPP8RAB9ANPC1

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-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed