SCHEMBL1867170

SCHEMBL1867170

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
FES P07332 1/20 0.42
RET P07949 1/20 0.42
ROS1 P08922 1/20 0.42
FER P16591 1/20 0.42
FLT1 P17948 1/20 0.42
AXL P30530 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK9 P45984 1/20 0.42
IRAK1 P51617 1/20 0.42
LIMK1 P53667 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL1867173 1.00 BRAF (0.42) BRAFJAK2MAP4K4CHEK2PRKCG
SCHEMBL1867508 0.91 BRAF (0.46) BRAFJAK2MAP4K4CHEK2PRKCG
SCHEMBL1868558 0.91 BRAF (0.43) BRAFJAK2MAP4K4CHEK2PRKCG
SCHEMBL1868561 0.91 BRAF (0.43) BRAFJAK2MAP4K4CHEK2PRKCG
SCHEMBL1867506 0.91 BRAF (0.46) BRAFJAK2MAP4K4CHEK2PRKCG
SCHEMBL1865731 0.90 KLKB1 (0.45) BRAFFLT3KLKB1MASP2NAMPT
SCHEMBL1865734 0.90 KLKB1 (0.45) BRAFFLT3KLKB1MASP2NAMPT
SCHEMBL1863379 0.86 BRAF (0.47) BRAFMAP4K4FESFLT1KDR
SCHEMBL1867774 0.86 BRAF (0.47) BRAFFLT3KLKB1MASP2NAMPT
SCHEMBL1863382 0.86 BRAF (0.47) BRAFMAP4K4FESFLT1KDR

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