SCHEMBL1868674

SCHEMBL1868674

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
KLKB1 P03952 9/20 0.39
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
NAMPT P43490 1/20 0.36
KLK1 P06870 3/20 0.36
BRAF P15056 2/20 0.36
ABL1 P00519 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
F2 P00734 2/20 0.36
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
FES P07332 1/20 0.35
RET P07949 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
SCHEMBL1868678 1.00 MASP2 (0.42) MASP2KLKB1PSMB1PSMB5PSMB2
SCHEMBL1873380 0.93 MASP2 (0.43) MASP2KLKB1PSMB1PSMB5PSMB2
SCHEMBL1873386 0.93 MASP2 (0.43) MASP2KLKB1PSMB1PSMB5PSMB2
SCHEMBL1868891 0.91 MASP2 (0.43) MASP2KLKB1PSMB5NAMPTKLK1
SCHEMBL1868895 0.91 MASP2 (0.43) MASP2KLKB1PSMB5NAMPTKLK1
SCHEMBL1871675 0.91 MASP2 (0.42) MASP2KLKB1PSMB1PSMB5PSMB2
SCHEMBL1871667 0.91 MASP2 (0.42) MASP2KLKB1PSMB1PSMB5PSMB2
SCHEMBL1864154 0.90 MASP2 (0.43) MASP2KLKB1NAMPTKLK1ABL1
SCHEMBL1864152 0.90 MASP2 (0.43) MASP2KLKB1NAMPTKLK1ABL1
SCHEMBL1874535 0.89 MASP2 (0.43) MASP2KLKB1F2JAK2MAP4K4

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 3 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
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed