SCHEMBL1867203

SCHEMBL1867203

CCN(C)C(C)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
CTSB P07858 9/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
CTSL P07711 12/20 0.41
CTSV O60911 11/20 0.41
CTSS P25774 11/20 0.41
CTSK P43235 9/20 0.40
CDK8 P49336 2/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
FES P07332 1/20 0.40
RET P07949 1/20 0.40
ROS1 P08922 1/20 0.40
FER P16591 1/20 0.40
FLT1 P17948 1/20 0.40
AXL P30530 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
SCHEMBL1867199 1.00 MASP2 (0.43) MASP2CTSBKLKB1KLK1CTSL
SCHEMBL1873107 0.93 MASP2 (0.44) MASP2CTSBKLKB1KLK1CTSL
SCHEMBL1873100 0.93 MASP2 (0.44) MASP2CTSBKLKB1KLK1CTSL
SCHEMBL1873425 0.91 MASP2 (0.43) MASP2CTSBKLKB1KLK1CTSL
SCHEMBL1873427 0.91 MASP2 (0.43) MASP2CTSBKLKB1KLK1CTSL
SCHEMBL1875531 0.90 MASP2 (0.43) MASP2KLKB1CTSSCTSKCDK8
SCHEMBL1875523 0.90 MASP2 (0.43) MASP2KLKB1CTSSCTSKCDK8
SCHEMBL1868237 0.89 MASP2 (0.42) MASP2KLKB1KLK1FLT3
SCHEMBL1868236 0.89 MASP2 (0.42) MASP2KLKB1KLK1FLT3
SCHEMBL1871667 0.88 MASP2 (0.42) MASP2KLKB1KLK1

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