SCHEMBL1868237

SCHEMBL1868237

CCN(C)C(C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
KLKB1 P03952 12/20 0.40
KLK1 P06870 5/20 0.37
ABL1 P00519 1/20 0.37
FLT3 P36888 1/20 0.36
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36
PTGES O14684 1/20 0.35
BRAF P15056 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL1868236 1.00 MASP2 (0.42) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1867143 0.92 MASP2 (0.43) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1867146 0.92 MASP2 (0.43) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1873305 0.91 MASP2 (0.42) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1873309 0.91 MASP2 (0.42) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1867199 0.89 MASP2 (0.43) MASP2KLKB1KLK1FLT3
SCHEMBL1867203 0.89 MASP2 (0.43) MASP2KLKB1KLK1FLT3
SCHEMBL1866499 0.89 MASP2 (0.43) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1866502 0.89 MASP2 (0.43) MASP2KLKB1KLK1ABL1FLT3
SCHEMBL1871675 0.88 MASP2 (0.42) MASP2KLKB1KLK1ABL1BRAF

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
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed