SCHEMBL670263

SCHEMBL670263

COC(=O)c1sc(C#CC(C)(C)C)cc1NCc1cnc(C)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.33
MAPK14 Q16539 5/20 0.32
ALDH1A1 P00352 1/20 0.32
FDPS P14324 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL668661 0.77 TRPM5 (0.38) RAF1FDPS
SCHEMBL670261 0.76 MCHR1 (0.35) RAF1
SCHEMBL669609 0.76 MEN1 (0.38) RAF1MAPK14ALDH1A1
SCHEMBL670262 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL668932 0.74 KDM4C (0.39) RAF1MAPK14ABL1SRC
SCHEMBL669903 0.74 RAF1 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL669157 0.73 RAF1 (0.37) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1441015 0.72 RAF1 (0.33) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL669880 0.72 RAF1 (0.36) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10206102 0.71 SMN1; SMN2 (0.39) RAF1MAPK14ALDH1A1MAPK13MAPK12

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-2606041-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-06-26 EP disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 WO disclosed