SCHEMBL6821175

SCHEMBL6821175

N#Cc1ccc(NC[C@@H]2CCCCN2)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CHEK1 O14757 1/20 0.45
IDO1 P14902 4/20 0.43
TDO2 P48775 4/20 0.43
PRMT5 O14744 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
IL1B P01584 2/20 0.41
CDK4 P11802 1/20 0.41

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
SCHEMBL1598239 1.00 DPP4 (0.45) DPP4DPP8DPP7CHEK1IDO1
SCHEMBL1598150 0.96 DPP4 (0.46) DPP4DPP8DPP7IDO1TDO2
SCHEMBL1598152 0.96 DPP4 (0.46) DPP4DPP8DPP7IDO1TDO2
Hydrochloric Acid SCHEMBL3613927 0.95 DPP4 (0.45) DPP4DPP8DPP7IDO1TDO2
SCHEMBL1598339 0.82 SLC6A4 (0.43) CHEK1IDO1TDO2PRMT5IRAK4
SCHEMBL1598340 0.82 SLC6A4 (0.43) CHEK1IDO1TDO2PRMT5IRAK4
SCHEMBL15739611 0.79 EGLN2 (0.51) DPP4DPP8DPP7CHEK1
SCHEMBL15229670 0.79 DPP4 (0.39) DPP4DPP8DPP7IL1B
SCHEMBL3385188 0.77 IDH1 (0.39) DPP4DPP8DPP7
SCHEMBL3385179 0.77 IDH1 (0.39) DPP4DPP8DPP7

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-2004041807-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-21 WO disclosed