SCHEMBL1433580

SCHEMBL1433580

Cc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(N)nc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.65
KLK1 P06870 3/20 0.49
CAPN1 P07384 6/20 0.47
MASP2 O00187 3/20 0.44

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
SCHEMBL1433064 0.96 KLKB1 (0.61) KLKB1KLK1CAPN1MASP2
SCHEMBL1433012 0.94 KLKB1 (0.57) KLKB1KLK1CAPN1MASP2
SCHEMBL1433306 0.92 KLKB1 (0.55) KLKB1KLK1CAPN1MASP2
SCHEMBL1433325 0.90 KLKB1 (0.57) KLKB1KLK1CAPN1
SCHEMBL1433449 0.90 KLKB1 (0.57) KLKB1KLK1
SCHEMBL1433003 0.90 KLKB1 (0.54) KLKB1KLK1CAPN1MASP2
SCHEMBL1433464 0.90 KLKB1 (0.60) KLKB1KLK1CAPN1
SCHEMBL1434866 0.89 KLKB1 (0.53) KLKB1KLK1MASP2
SCHEMBL1432898 0.89 KLKB1 (0.71) KLKB1KLK1
SCHEMBL1432921 0.88 KLKB1 (0.52) KLKB1KLK1MASP2

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