SCHEMBL1432325

SCHEMBL1432325

CNC(C)(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
▸ PDPK1 O15530 2/20 0.40
▸ MASP2 O00187 3/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ EHMT2 Q96KQ7 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
SCHEMBL1901340 0.91 PDPK1 (0.39) PDPK1MASP2NAMPTTLR2FURIN
SCHEMBL1903653 0.88 PDPK1 (0.40) PDPK1MASP2NAMPTTLR2FURIN
SCHEMBL1902374 0.88 PDPK1 (0.40) PDPK1MASP2NAMPTTLR2FURIN
SCHEMBL1432274 0.85 AAK1 (0.38) PDPK1MASP2NAMPTFURIN
SCHEMBL1431876 0.85 MASP2 (0.43) PDPK1MASP2NAMPTTLR2BACE1
SCHEMBL1902464 0.83 MASP2 (0.39) PDPK1MASP2NAMPTTLR2FURIN
SCHEMBL1899812 0.83 MASP2 (0.39) PDPK1MASP2NAMPTTLR2FURIN
SCHEMBL1907783 0.83 PDPK1 (0.38) PDPK1MASP2NAMPTTLR2BACE1
SCHEMBL1432510 0.83 MASP2 (0.38) PDPK1MASP2NAMPTBACE1
SCHEMBL1432320 0.80 PDPK1 (0.42) PDPK1MASP2NAMPTFURIN

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