SCHEMBL1431876

SCHEMBL1431876

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.43
▸ PDPK1 O15530 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ CPB2 Q96IY4 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
SCHEMBL1432011 0.89 NAMPT (0.45) MASP2PDPK1NAMPTEHMT2CPB2
SCHEMBL1431865 0.89 NAMPT (0.45) MASP2PDPK1NAMPTEHMT2CPB2
SCHEMBL1899812 0.89 MASP2 (0.39) MASP2PDPK1NAMPTBACE1CACNA1G
SCHEMBL1902464 0.89 MASP2 (0.39) MASP2PDPK1NAMPTBACE1CACNA1G
SCHEMBL1907783 0.86 PDPK1 (0.38) MASP2PDPK1NAMPTBACE1TLR2
SCHEMBL1432510 0.86 MASP2 (0.38) MASP2PDPK1NAMPTBACE1CACNA1G
SCHEMBL1432325 0.85 PDPK1 (0.40) MASP2PDPK1NAMPTBACE1TLR2
SCHEMBL1901340 0.85 PDPK1 (0.39) MASP2PDPK1NAMPTBACE1TLR2
SCHEMBL1431965 0.84 EHMT2 (0.43) MASP2PDPK1NAMPTCACNA1GCACNA1H
SCHEMBL1432369 0.84 MASP2 (0.38) MASP2PDPK1NAMPTBACE1TLR2

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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