SCHEMBL3963719

SCHEMBL3963719

Cc1[nH]c(=O)c(Nc2ccc(N3CCOCC3)nn2)cc1-c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.51
JAK2 O60674 1/20 0.45
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
SRC P12931 1/20 0.45
CYP2C19 P33261 1/20 0.45
FLT3 P36888 1/20 0.45
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
BMX P51813 1/20 0.45
JAK3 P52333 1/20 0.45
ITK Q08881 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45

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
SCHEMBL3964890 0.87 BTK (0.61) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL1038537 0.87 BTK (0.56) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL1041604 0.83 BTK (0.73) BTK
SCHEMBL3953320 0.82 BTK (0.48) BTK
SCHEMBL1041847 0.82 BTK (0.52) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL1040122 0.80 BTK (0.56) BTK
SCHEMBL1041076 0.79 BTK (0.50) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL17580874 0.79 BTK (0.72) BTK
SCHEMBL5242071 0.79 BTK (0.66) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL1038359 0.79 BTK (0.59) BTKSRCFLT3ITK

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