SCHEMBL1865384

SCHEMBL1865384

CCCS(=O)(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
BRAF P15056 9/20 0.42
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
ROS1 P08922 1/20 0.41
FER P16591 1/20 0.41
FLT1 P17948 1/20 0.41
AXL P30530 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK9 P45984 1/20 0.41
IRAK1 P51617 1/20 0.41
LIMK1 P53667 1/20 0.41
MAP4K2 Q12851 1/20 0.41

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
SCHEMBL1865386 1.00 MASP2 (0.42) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1880297 0.90 BRAF (0.45) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1867170 0.85 BRAF (0.42) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1867173 0.85 BRAF (0.42) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1868561 0.85 BRAF (0.43) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1868558 0.85 BRAF (0.43) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1867508 0.85 BRAF (0.46) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1867506 0.85 BRAF (0.46) MASP2BRAFJAK2MAP4K4CHEK2
SCHEMBL1865731 0.84 KLKB1 (0.45) MASP2BRAFFLT3NAMPTKLKB1
SCHEMBL1865734 0.84 KLKB1 (0.45) MASP2BRAFFLT3NAMPTKLKB1

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