SCHEMBL1434273

SCHEMBL1434273

Cc1cc(C)c(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)NCc2ccc(N)nc2C)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.50
KLKB1 P03952 1/20 0.49
MASP2 O00187 3/20 0.45
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL1434507 0.88 TACR1 (0.53) KLKB1
SCHEMBL1433013 0.87 KLKB1 (0.54) KLKB1MASP2CTSSCTSK
SCHEMBL1433349 0.85 F2 (0.51) F2MASP2CTSS
SCHEMBL1434232 0.84 F2 (0.51) F2KLKB1MASP2CTSSCTSK
SCHEMBL1433111 0.82 F2 (0.53) F2KLKB1MASP2
SCHEMBL1434709 0.81 F2 (0.51) F2KLKB1MASP2
SCHEMBL1434049 0.81 KLKB1 (0.47) F2KLKB1MASP2
SCHEMBL1433533 0.80 PYGL (0.49) F2CTSS
SCHEMBL1433101 0.79 CTSS (0.65) F2MASP2PSMB8PSMB5CTSS
SCHEMBL3157541 0.78 F2 (0.58) F2MASP2

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