SCHEMBL25428013

SCHEMBL25428013

O=C(O)NCC(=O)N1CCn2cnnc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
DPP8 Q6V1X1 3/20 0.47
NAMPT P43490 1/20 0.45
NOTUM Q6P988 2/20 0.44
CDK1 P06493 1/20 0.40
MYT1 Q01538 1/20 0.40
GABRA5 P31644 1/20 0.38
SPR P35270 1/20 0.36
PARP1 P09874 2/20 0.36
PDPK1 O15530 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SYK P43405 1/20 0.33
SCN9A Q15858 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
RAB9A P51151 1/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL22054806 0.80 DPP4 (0.50) DPP4DPP8NAMPTNOTUMCDK1
SCHEMBL14753226 0.80 DPP4 (0.52) DPP4DPP8NAMPTNOTUMCDK1
SCHEMBL30980046 0.79 NAMPT (0.49) DPP4DPP8NAMPTNOTUMCDK1
SCHEMBL25429882 0.78 SCD (0.46) NAMPTCDK1MYT1SPRKMT2A
SCHEMBL25428126 0.75 NAMPT (0.44) NAMPTCDK1MYT1SPRKMT2A
SCHEMBL12332202 0.74 NAMPT (0.48) DPP4DPP8NAMPTNOTUMCDK1
SCHEMBL22977583 0.74 DPP4 (0.49) DPP4DPP8NAMPTNOTUMCDK1
SCHEMBL22054673 0.74 DPP4 (0.61) DPP4DPP8NAMPTNOTUMCDK1
SCHEMBL25430234 0.73 NOTUM (0.43) DPP4DPP8NOTUM
SCHEMBL21555894 0.73 DPP4 (0.55) DPP4DPP8NAMPTNOTUMCDK1

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed