SCHEMBL3958013

SCHEMBL3958013

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1c[nH]c(=O)c(CNc2ccc(N3CCC(O)CC3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.46
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
FLT3 P36888 1/20 0.39
ITK Q08881 1/20 0.39
BMX P51813 1/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37

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
SCHEMBL3953323 0.83 BTK (0.51) BTKKITSRCFLT3ITK
SCHEMBL3967674 0.82 BTK (0.53) BTKKITSRCFLT3ITK
SCHEMBL3965808 0.82 PIK3CB (0.37) PDCD1CD274
SCHEMBL1038359 0.81 BTK (0.59) BTKKITSRCFLT3ITK
SCHEMBL1041847 0.80 BTK (0.52) BTKSRCFLT3ITKBMX
SCHEMBL1038537 0.80 BTK (0.56) BTKSRCFLT3ITKBMX
SCHEMBL1042043 0.80 BTK (0.66) BTK
SCHEMBL3957050 0.79 BTK (0.55) BTKSRCFLT3ITKBMX
SCHEMBL3960170 0.79 BTK (0.56) BTKKITSRCFLT3ITK
SCHEMBL3961204 0.79 BTK (0.52) BTKSRCFLT3ITKBMX

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-2079726-A2 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008033857-A2 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed