SCHEMBL1493315

SCHEMBL1493315

CCN(S(C)(=O)=O)S(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.47
BRAF P15056 14/20 0.43
METAP2 P50579 4/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BMPR1B O00238 1/20 0.35
PLK4 O00444 1/20 0.35
PIR O00625 1/20 0.35
AURKA O14965 1/20 0.35
DCLK1 O15075 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 1/20 0.35
STK16 O75716 1/20 0.35
OXSR1 O95747 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
RAF1 P04049 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL1490948 0.85 BRAF (0.55) FABP4BRAFMETAP2CYP2C9BMPR1B
SCHEMBL1437566 0.79 FABP4 (0.51) FABP4BRAFMETAP2CYP3A4CYP2C9
SCHEMBL3529771 0.79 FABP4 (0.53) FABP4BRAFMETAP2MAP2K4
SCHEMBL413368 0.76 CYP3A4 (0.62) BRAFCYP3A4CYP2C9CYP2C19BMPR1B
SCHEMBL25455943 0.75 BRAF (0.55) BRAFCYP3A4CYP2C9CYP2C19BMPR1B
SCHEMBL912842 0.74 BRAF (0.56) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL29796692 0.74 BRAF (0.56) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1592969 0.74 FABP4 (0.46) FABP4BRAFMETAP2CYP3A4CYP2C9
SCHEMBL1437490 0.74 FABP4 (0.46) FABP4BRAFMETAP2CYP3A4CYP2C9
SCHEMBL20399239 0.73 BRAF (0.53) BRAFCYP3A4CYP2C9CYP2C19

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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed