SCHEMBL3361983

SCHEMBL3361983

COCCNC(=O)c1cnc(CNC(=O)OC(C)(C)C)c2cc(OC)c(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.56
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 1/20 0.44
AURKA O14965 2/20 0.40
MET P08581 2/20 0.40
KDR P35968 2/20 0.40
TEK Q02763 2/20 0.40
AURKB Q96GD4 2/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
FLT1 P17948 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CSNK1D P48730 1/20 0.38

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
SCHEMBL3365213 0.86 DPP4 (0.47) DPP4
SCHEMBL3362189 0.86 DPP4 (0.43) DPP4KDM4EMAPK1PDE10ACYP1A2
SCHEMBL3361298 0.85 DPP4 (0.46) DPP4KDM4EMAPK1AURKAMET
SCHEMBL3365143 0.84 PDE10A (0.51) DPP4KDM4EPDE10ACYP1A2PKM
SCHEMBL3361923 0.82 DPP4 (0.64) DPP4
SCHEMBL3363973 0.80 DPP4 (0.43) DPP4
SCHEMBL3361990 0.80 DPP4 (0.44) DPP4KDM4E
SCHEMBL3360972 0.80 KMT2A (0.44) DPP4
SCHEMBL3361880 0.78 DPP4 (0.47) DPP4PDE10A
SCHEMBL3361175 0.76 HPGD (0.44) DPP4

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