SCHEMBL3961204

SCHEMBL3961204

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1c[nH]c(=O)c(CNc2ccc(C(=O)N3CCC(C#N)CC3)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.52
CLK2 P49760 1/20 0.44
BDKRB1 P46663 2/20 0.40
JAK2 O60674 1/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
SRC P12931 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT3 P36888 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
ITK Q08881 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40

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
SCHEMBL3957050 0.89 BTK (0.55) BTKCLK2BDKRB1JAK2INSR
SCHEMBL3964069 0.87 BTK (0.44) BTKBDKRB1BMXJAK3
SCHEMBL3967674 0.81 BTK (0.53) BTKSRCFLT3BMXITK
SCHEMBL3960170 0.81 BTK (0.56) BTKBDKRB1SRCFLT3BMX
SCHEMBL1323438 0.80 BTK (0.79) BTKCLK2
SCHEMBL3958013 0.79 BTK (0.46) BTKSRCFLT3BMXITK
SCHEMBL1322606 0.78 BTK (0.77) BTKCLK2JAK2INSRIGF1R
SCHEMBL3964701 0.76 BTK (0.45) BTKSRCFLT3BMXITK
SCHEMBL3965260 0.76 BTK (0.46) BTKBDKRB1BMXJAK3
SCHEMBL3953323 0.76 BTK (0.51) BTKSRCFLT3BMXITK

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-2081923-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed