SCHEMBL13626828

SCHEMBL13626828

CCc1sc(C(=O)Nc2c(F)ccc(-c3c[nH]c(=O)c(Nc4ccc(N5CCN(C)CC5)cc4)n3)c2C)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.43
FGR P09769 1/20 0.40
SRC P12931 1/20 0.40
TEC P42680 1/20 0.40
BMX P51813 1/20 0.40
ABL1 P00519 1/20 0.37
MET P08581 1/20 0.37
MST1R Q04912 1/20 0.37
EGFR P00533 1/20 0.36
BRD4 O60885 2/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL13626829 0.89 BTK (0.55) BTK
SCHEMBL13626122 0.83 BTK (0.55) BTK
SCHEMBL12651425 0.82 BTK (0.44) BTKFGRSRCTECBMX
SCHEMBL13626373 0.80 BTK (0.41) BTKFGRSRCTECBMX
SCHEMBL13626131 0.80 BTK (0.43) BTKEGFRBRD4
SCHEMBL13626472 0.77 BTK (0.55) BTK
SCHEMBL13626128 0.77 BTK (0.41) BTKEGFR
SCHEMBL13626485 0.75 SYK (0.47) BTKNTRK1
SCHEMBL13626375 0.74 BTK (0.52) BTK
SCHEMBL13626142 0.74 BTK (0.54) BTKFGRTECBMX

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-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed