SCHEMBL298332

SCHEMBL298332

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncccc23)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 14/20 0.56
BRAF P15056 6/20 0.56
BMPR1B O00238 1/20 0.54
PLK4 O00444 1/20 0.54
PIR O00625 1/20 0.54
AURKA O14965 1/20 0.54
DCLK1 O15075 1/20 0.54
EPHB6 O15197 1/20 0.54
RIPK2 O43353 1/20 0.54
STK16 O75716 1/20 0.54
OXSR1 O95747 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
RAF1 P04049 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
FES P07332 1/20 0.54
CSF1R P07333 1/20 0.54
YES1 P07947 1/20 0.54
LYN P07948 1/20 0.54

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
SCHEMBL30866274 0.85 BRAF (0.57) BRAF
SCHEMBL21223003 0.84 BRAF (0.58) MAP2K4BRAFBMPR1BPLK4PIR
SCHEMBL21223018 0.84 MAP2K4 (0.75) MAP2K4BRAFRIPK2RAF1KDR
SCHEMBL30636752 0.84 MAP2K4 (0.75) MAP2K4BRAFRIPK2RAF1KDR
SCHEMBL29796856 0.83 BRAF (0.74) MAP2K4BRAFBMPR1BPLK4PIR
SCHEMBL298039 0.83 BRAF (0.74) MAP2K4BRAFBMPR1BPLK4PIR
SCHEMBL23098863 0.82 MAP2K4 (0.75) MAP2K4BRAFRIPK2RAF1KDR
SCHEMBL21224028 0.82 MAP2K4 (0.66) MAP2K4BRAFRIPK2RAF1KDR
SCHEMBL30694412 0.82 MAP2K4 (0.66) MAP2K4BRAFRIPK2RAF1KDR
SCHEMBL30694413 0.82 MAP2K4 (0.75) MAP2K4BRAFRIPK2RAF1KDR

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
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed