SCHEMBL1863379

SCHEMBL1863379

CCCS(=O)(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.47
MASP2 O00187 1/20 0.39
KLKB1 P03952 4/20 0.39
NAMPT P43490 1/20 0.39
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37
PIR O00625 1/20 0.37
AURKA O14965 1/20 0.37
DCLK1 O15075 1/20 0.37
EPHB6 O15197 1/20 0.37
RIPK2 O43353 1/20 0.37
STK16 O75716 1/20 0.37
OXSR1 O95747 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
RAF1 P04049 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
FES P07332 1/20 0.37
CSF1R P07333 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
SCHEMBL1863382 1.00 BRAF (0.47) BRAFMASP2KLKB1NAMPTBMPR1B
SCHEMBL1870117 0.91 BRAF (0.47) BRAFMASP2KLKB1NAMPTABL1
SCHEMBL1870114 0.91 BRAF (0.47) BRAFMASP2KLKB1NAMPTABL1
SCHEMBL1861630 0.90 BRAF (0.45) BRAFMASP2KLKB1NAMPTFLT3
SCHEMBL1861627 0.90 BRAF (0.45) BRAFMASP2KLKB1NAMPTFLT3
SCHEMBL1867508 0.89 BRAF (0.46) BRAFMASP2NAMPTPLK4DCLK1
SCHEMBL1867506 0.89 BRAF (0.46) BRAFMASP2NAMPTPLK4DCLK1
SCHEMBL1865731 0.89 KLKB1 (0.45) BRAFMASP2KLKB1NAMPTFLT3
SCHEMBL1865734 0.89 KLKB1 (0.45) BRAFMASP2KLKB1NAMPTFLT3
SCHEMBL1867774 0.88 BRAF (0.47) BRAFMASP2KLKB1NAMPTFLT3

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 claimed