SCHEMBL1901338

SCHEMBL1901338

CC(C)(O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
FURIN P09958 1/20 0.42
KLKB1 P03952 2/20 0.41
MASP2 O00187 3/20 0.40
NAMPT P43490 1/20 0.40
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
HTRA1 Q92743 4/20 0.39
HDAC1 Q13547 1/20 0.37
GRIA1 P42261 1/20 0.37
MET P08581 1/20 0.36

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
SCHEMBL1902369 0.92 PDPK1 (0.42) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL1903648 0.92 PDPK1 (0.42) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL1432320 0.90 PDPK1 (0.42) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL3148328 0.90 PDPK1 (0.47) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL1901309 0.89 NAMPT (0.46) FURINKLKB1MASP2NAMPTGRIA1
SCHEMBL1432268 0.87 CTSS (0.50) PDPK1FURINKLKB1
SCHEMBL1431798 0.85 PDPK1 (0.42) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL1431792 0.85 PDPK1 (0.42) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL3153543 0.85 FURIN (0.43) PDPK1FURINKLKB1MASP2NAMPT
SCHEMBL3153517 0.85 FURIN (0.43) PDPK1FURINKLKB1MASP2NAMPT

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed