SCHEMBL1433111

SCHEMBL1433111

Cc1cc(C)c(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccc(N)nc2C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.53
MASP2 O00187 5/20 0.52
KLKB1 P03952 1/20 0.48
CTSL P07711 3/20 0.46
MAPK14 Q16539 1/20 0.43
KIFC1 Q9BW19 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
SCHEMBL1434232 0.88 F2 (0.51) F2MASP2KLKB1CTSL
SCHEMBL1432955 0.86 KLKB1 (0.54) F2MASP2KLKB1CTSLMAPK14
SCHEMBL1434049 0.85 KLKB1 (0.47) F2MASP2KLKB1
SCHEMBL1433255 0.85 F2 (0.52) F2MASP2CTSLMAPK14
SCHEMBL1434709 0.84 F2 (0.51) F2MASP2KLKB1
SCHEMBL1434273 0.82 F2 (0.50) F2MASP2KLKB1
SCHEMBL1434686 0.81 MCHR1 (0.55) F2MASP2CTSL
SCHEMBL3157965 0.80 F2 (0.60) F2MASP2
SCHEMBL1434507 0.78 TACR1 (0.53) KLKB1CTSL
SCHEMBL1432737 0.78 MAPK14 (0.48) F2MASP2KLKB1CTSLMAPK14

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 claimed
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed