SCHEMBL1431865

SCHEMBL1431865

CN[C@@H](C)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ MASP2 O00187 3/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDPK1 O15530 1/20 0.36

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 1.00 NAMPT (0.45) NAMPTMASP2EHMT2L3MBTL1GAA
SCHEMBL1432545 0.90 NAMPT (0.44) NAMPTMASP2EHMT2L3MBTL1GAA
SCHEMBL1431876 0.89 MASP2 (0.43) NAMPTMASP2EHMT2CPB2PDPK1
SCHEMBL1904701 0.88 NAMPT (0.45) NAMPTMASP2EHMT2L3MBTL1GAA
SCHEMBL1904386 0.86 NAMPT (0.45) NAMPTMASP2EHMT2L3MBTL1GAA
SCHEMBL1432449 0.85 NAMPT (0.43) NAMPTMASP2EHMT2L3MBTL1GAA
SCHEMBL1432651 0.85 NAMPT (0.46) NAMPTMASP2EHMT2L3MBTL1GAA
SCHEMBL1901312 0.84 NAMPT (0.45) NAMPTMASP2EHMT2L3MBTL1HPGD
SCHEMBL1431927 0.83 EHMT2 (0.51) NAMPTMASP2EHMT2
SCHEMBL1432618 0.83 NAMPT (0.41) NAMPTMASP2EHMT2L3MBTL1MEN1

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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