SCHEMBL17875110

SCHEMBL17875110

Cc1[nH]c(/C=C2\C(=O)N(C)c3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
IDH1 O75874 3/20 0.40
KDR P35968 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.38
FLT3 P36888 1/20 0.36
AURKB Q96GD4 1/20 0.36
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
CDC25C P30307 2/20 0.36
DUSP3 P51452 2/20 0.36

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
SCHEMBL13028335 0.87 MET (0.57) METCDK5CDK5R1KDRMEN1
SCHEMBL16090314 0.85 MET (0.52) METCDK5CDK5R1KDRMEN1
SCHEMBL16090380 0.83 MET (0.48) METCDK5CDK5R1IDH1KDR
SCHEMBL16090384 0.81 MET (0.54) METCDK5CDK5R1KDRMEN1
SCHEMBL16090243 0.81 MET (0.48) METCDK5CDK5R1IDH1KDR
SCHEMBL13028336 0.80 MET (0.52) METCDK5CDK5R1KDRMEN1
SCHEMBL16090350 0.77 KDR (0.57) METKDRMEN1KMT2ACCNE1
SCHEMBL146175 0.77 MET (0.54) METKDRMEN1KMT2ACCNE1
SCHEMBL13028333 0.76 MET (0.57) METKDRMEN1KMT2ACCNE1
SCHEMBL16091166 0.74 MET (0.60) METKDRMEN1KMT2ACCNE1

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-3037419-A1 COMPOSITIONS OF KINASE INHIBITORS AND THEIR USE FOR TREATMENT OF CANCER AND OTHER DISEASES RELATED TO KINASES Boston Biomedical, Inc. (US) 2016-06-29 EP disclosed