SCHEMBL1907783

SCHEMBL1907783

CC[C@@H](O)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.38
▸ MASP2 O00187 3/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KCNQ2 O43526 1/20 0.36
▸ MET P08581 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ROCK2 O75116 1/20 0.34

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
SCHEMBL1904386 0.89 NAMPT (0.45) MASP2NAMPTMEN1KMT2A
SCHEMBL1903992 0.89 NAMPT (0.42) PDPK1MASP2NAMPTMETTLR2
SCHEMBL1899812 0.89 MASP2 (0.39) PDPK1MASP2NAMPTTLR2BACE1
SCHEMBL1902464 0.89 MASP2 (0.39) PDPK1MASP2NAMPTTLR2BACE1
SCHEMBL1902876 0.88 BACE1 (0.40) PDPK1MASP2NAMPTBACE1HDAC1
SCHEMBL1901316 0.87 CA2 (0.40) PDPK1
SCHEMBL1431876 0.86 MASP2 (0.43) PDPK1MASP2NAMPTTLR2BACE1
SCHEMBL1901340 0.85 PDPK1 (0.39) PDPK1MASP2NAMPTTLR2BACE1
SCHEMBL1432265 0.84 PDPK1 (0.35) PDPK1MASP2NAMPTKCNQ2MET
SCHEMBL1432510 0.84 MASP2 (0.38) PDPK1MASP2NAMPTBACE1

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
Send feedback