SCHEMBL1432596

SCHEMBL1432596

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ FURIN P09958 1/20 0.38
▸ F2R P25116 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ VNN1 O95497 1/20 0.33

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
SCHEMBL1901816 0.88 MASP2 (0.39) MASP2FURINF2RTSHRKCNH2
SCHEMBL1432473 0.86 MASP2 (0.38) MASP2FURINTSHRKCNH2NAMPT
SCHEMBL1431488 0.84 MALT1 (0.39) MASP2KCNH2EPHX2
SCHEMBL1431704 0.83 MASP2 (0.43) MASP2NAMPT
SCHEMBL1432496 0.82 F2 (0.44) MASP2
SCHEMBL1431986 0.82 MASP2 (0.42) MASP2KCNH2NAMPT
SCHEMBL1907931 0.81 BACE1 (0.40) MASP2NAMPT
SCHEMBL1432287 0.81 MASP2 (0.39) MASP2NAMPT
SCHEMBL1431838 0.81 METAP2 (0.39) MASP2KCNH2EPHX2
SCHEMBL1432594 0.80 FURIN (0.45) MASP2FURINTSHR

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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