SCHEMBL3363205

SCHEMBL3363205

COc1cc(OC)c2c(CN)ncc(C(=O)N(C)Cc3cccnc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.56
CLK1 P49759 1/20 0.48
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
PDK1 Q15118 3/20 0.43
IDO1 P14902 1/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
TNF P01375 1/20 0.39
MAPK1 P28482 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
Hydrochloric Acid SCHEMBL3366027 0.99 DPP4 (0.56) DPP4CLK1TLR9TLR8TLR7
SCHEMBL3363889 0.91 DPP4 (0.59) DPP4CLK1GAAHTTHPGD
SCHEMBL3362219 0.85 GAA (0.49) DPP4CLK1TLR9TLR8TLR7
SCHEMBL3363987 0.84 CLK1 (0.42) DPP4CLK1TLR9TLR8TLR7
SCHEMBL3361355 0.79 DPP4 (0.55) DPP4
Hydrochloric Acid SCHEMBL3365053 0.79 DPP4 (0.55) DPP4TLR9TLR8TLR7GAA
SCHEMBL3365084 0.76 DPP4 (0.57) DPP4
SCHEMBL3363200 0.76 DPP4 (0.55) DPP4HPGDMAPK1
SCHEMBL3361560 0.76 DPP4 (0.74) DPP4GAA
SCHEMBL7716792 0.76 DPP4 (0.56) DPP4GAAHTTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed