SCHEMBL1872162

SCHEMBL1872162

CC(C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCc1cnc2[nH]ccc2c1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.44
MAP4K4 O95819 2/20 0.44
CHEK2 O96017 2/20 0.44
CDK1 P06493 2/20 0.44
FES P07332 2/20 0.44
ROS1 P08922 2/20 0.44
FER P16591 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
IRAK1 P51617 2/20 0.44
ROCK1 Q13464 2/20 0.44
PKN2 Q16513 2/20 0.44
MARK2 Q7KZI7 2/20 0.44
MINK1 Q8N4C8 2/20 0.44
AURKB Q96GD4 2/20 0.44
SLK Q9H2G2 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
STK17A Q9UEE5 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL1869906 1.00 MASP2 (0.44) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1874525 0.93 MASP2 (0.43) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1874535 0.93 MASP2 (0.43) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1875523 0.93 MASP2 (0.43) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1875531 0.93 MASP2 (0.43) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1872344 0.90 MASP2 (0.44) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1872338 0.90 MASP2 (0.44) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1873100 0.90 MASP2 (0.44) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1873107 0.90 MASP2 (0.44) MASP2MAP4K4CHEK2CDK1FES
SCHEMBL1873380 0.89 MASP2 (0.43) MASP2MAP4K4CHEK2CDK1FES

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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