SCHEMBL1867508

SCHEMBL1867508

CCCS(=O)(=O)NC(Cc1cccc(F)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.46
MAP4K4 O95819 2/20 0.43
CHEK2 O96017 2/20 0.43
CDK1 P06493 2/20 0.43
FES P07332 2/20 0.43
ROS1 P08922 2/20 0.43
FER P16591 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
IRAK1 P51617 2/20 0.43
ROCK1 Q13464 2/20 0.43
PKN2 Q16513 2/20 0.43
MARK2 Q7KZI7 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
AURKB Q96GD4 2/20 0.43
SLK Q9H2G2 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
STK17A Q9UEE5 2/20 0.43
MAP4K5 Q9Y4K4 2/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL1867506 1.00 BRAF (0.46) BRAFMAP4K4CHEK2CDK1FES
SCHEMBL1867173 0.91 BRAF (0.42) BRAFMAP4K4CHEK2CDK1FES
SCHEMBL1867170 0.91 BRAF (0.42) BRAFMAP4K4CHEK2CDK1FES
SCHEMBL1870117 0.91 BRAF (0.47) BRAFFLT3MASP2NAMPT
SCHEMBL1870114 0.91 BRAF (0.47) BRAFFLT3MASP2NAMPT
SCHEMBL1868561 0.90 BRAF (0.43) BRAFMAP4K4CHEK2CDK1FES
SCHEMBL1868558 0.90 BRAF (0.43) BRAFMAP4K4CHEK2CDK1FES
SCHEMBL1863379 0.89 BRAF (0.47) BRAFMAP4K4FESKDRMINK1
SCHEMBL1863382 0.89 BRAF (0.47) BRAFMAP4K4FESKDRMINK1
SCHEMBL1880297 0.86 BRAF (0.45) BRAFMAP4K4CHEK2CDK1FES

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