SCHEMBL1867774

SCHEMBL1867774

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.47
KLKB1 P03952 7/20 0.41
FLT3 P36888 1/20 0.40
MASP2 O00187 1/20 0.39
NAMPT P43490 1/20 0.39
KLK1 P06870 3/20 0.38

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
SCHEMBL1873310 1.00 BRAF (0.47) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1861627 0.91 BRAF (0.45) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1861630 0.91 BRAF (0.45) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1868561 0.89 BRAF (0.43) BRAFKLKB1FLT3MASP2
SCHEMBL1868558 0.89 BRAF (0.43) BRAFKLKB1FLT3MASP2
SCHEMBL1865734 0.89 KLKB1 (0.45) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1865731 0.89 KLKB1 (0.45) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1863382 0.88 BRAF (0.47) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1863379 0.88 BRAF (0.47) BRAFKLKB1FLT3MASP2NAMPT
SCHEMBL1870114 0.88 BRAF (0.47) BRAFKLKB1FLT3MASP2NAMPT

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