SCHEMBL1432510

SCHEMBL1432510

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ PDPK1 O15530 2/20 0.37
▸ BACE1 P56817 2/20 0.35
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 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
SCHEMBL1432651 0.90 NAMPT (0.46) MASP2NAMPTPDPK1
SCHEMBL1432369 0.89 MASP2 (0.38) MASP2NAMPTPDPK1BACE1
SCHEMBL1432188 0.86 MASP2 (0.39) MASP2NAMPT
SCHEMBL1899812 0.86 MASP2 (0.39) MASP2NAMPTPDPK1BACE1CACNA1G
SCHEMBL1431876 0.86 MASP2 (0.43) MASP2NAMPTPDPK1BACE1CACNA1G
SCHEMBL1902464 0.86 MASP2 (0.39) MASP2NAMPTPDPK1BACE1CACNA1G
SCHEMBL1431749 0.85 MASP2 (0.40) MASP2NAMPT
SCHEMBL1433035 0.84 F2 (0.40) MASP2
SCHEMBL1907783 0.84 PDPK1 (0.38) MASP2NAMPTPDPK1BACE1
SCHEMBL1901340 0.84 PDPK1 (0.39) MASP2NAMPTPDPK1BACE1

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
Send feedback