SCHEMBL1432265

SCHEMBL1432265

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.35
▸ MASP2 O00187 3/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ TLR2 O60603 1/20 0.33
▸ MET P08581 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CPB2 Q96IY4 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
SCHEMBL1907783 0.84 PDPK1 (0.38) PDPK1MASP2NAMPTBACE1KCNQ2
SCHEMBL1432381 0.84 KLKB1 (0.39) MASP2BACE1
SCHEMBL1902464 0.83 MASP2 (0.39) PDPK1MASP2NAMPTBACE1TLR2
SCHEMBL1899812 0.83 MASP2 (0.39) PDPK1MASP2NAMPTBACE1TLR2
SCHEMBL1431876 0.83 MASP2 (0.43) PDPK1MASP2NAMPTBACE1TLR2
SCHEMBL1432510 0.82 MASP2 (0.38) PDPK1MASP2NAMPTBACE1
SCHEMBL1432369 0.82 MASP2 (0.38) PDPK1MASP2NAMPTBACE1TLR2
SCHEMBL1432258 0.81 KLKB1 (0.42) PDPK1MASP2NAMPTMETHDAC1
SCHEMBL3143443 0.81 KLKB1 (0.42) PDPK1MASP2NAMPTMETHDAC1
SCHEMBL3149906 0.81 KLKB1 (0.42) PDPK1MASP2NAMPTMETHDAC1

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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