SCHEMBL12520073

SCHEMBL12520073

COC(=O)c1sc(C(C)(C)C)cc1NNC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.54
MAPK14 Q16539 8/20 0.54
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52

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
SCHEMBL2217033 0.79 RAF1 (0.34) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14467713 0.78 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10308320 0.76 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13425471 0.76 RAF1 (0.65) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL161668 0.75 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14726870 0.74 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12514098 0.74 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10265419 0.72 RAF1 (0.57) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL667203 0.72 RAF1 (0.61) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9965178 0.70 RAF1 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11

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-2011088303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES , INC. (US) 2011-07-21 WO disclosed