SCHEMBL1869378

SCHEMBL1869378

Cc1ccc(C[C@H](NC(=O)C(C)N(C)C(C)C)C(=O)NCc2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.44
MASP2 O00187 1/20 0.44
KLK1 P06870 4/20 0.40
FLT3 P36888 2/20 0.38
NAMPT P43490 1/20 0.38
CDK8 P49336 1/20 0.38
ABL1 P00519 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
FES P07332 1/20 0.37
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37
FER P16591 1/20 0.37
FLT1 P17948 1/20 0.37
AXL P30530 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL1869371 1.00 KLKB1 (0.44) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1886931 1.00 KLKB1 (0.44) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1868895 0.92 MASP2 (0.43) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1864152 0.92 MASP2 (0.43) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1864154 0.92 MASP2 (0.43) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1868891 0.92 MASP2 (0.43) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1862022 0.91 MASP2 (0.44) KLKB1MASP2KLK1FLT3CDK8
SCHEMBL1862017 0.91 MASP2 (0.44) KLKB1MASP2KLK1FLT3CDK8
SCHEMBL1868678 0.89 MASP2 (0.42) KLKB1MASP2KLK1FLT3NAMPT
SCHEMBL1873305 0.89 MASP2 (0.42) KLKB1MASP2KLK1FLT3NAMPT

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