SCHEMBL1432369

SCHEMBL1432369

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PDPK1 O15530 2/20 0.37
▸ BACE1 P56817 2/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL1432618 0.90 NAMPT (0.41) MASP2MEN1KMT2ANAMPT
SCHEMBL1432510 0.89 MASP2 (0.38) MASP2PDPK1BACE1NAMPT
SCHEMBL1907783 0.84 PDPK1 (0.38) MASP2MEN1KMT2APDPK1BACE1
SCHEMBL1902464 0.84 MASP2 (0.39) MASP2PDPK1BACE1NAMPTTLR2
SCHEMBL1431876 0.84 MASP2 (0.43) MASP2PDPK1BACE1NAMPTTLR2
SCHEMBL1899812 0.84 MASP2 (0.39) MASP2PDPK1BACE1NAMPTTLR2
SCHEMBL1432381 0.83 KLKB1 (0.39) MASP2BACE1
SCHEMBL3146076 0.82 KLKB1 (0.43) MASP2MEN1KMT2APDPK1NAMPT
SCHEMBL1432265 0.82 PDPK1 (0.35) MASP2PDPK1BACE1NAMPTTLR2
SCHEMBL1432363 0.82 KLKB1 (0.43) MASP2MEN1KMT2APDPK1NAMPT

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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