SCHEMBL13626129

SCHEMBL13626129

CCc1sc(C(=O)Nc2cc(-c3cn(C)c(=O)c(Nc4cnn(CC)c4)n3)ccc2F)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.47
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
NTRK1 P04629 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13626140 0.90 BTK (0.39) BTKJAK2JAK1JAK3NTRK1
SCHEMBL13626376 0.88 BTK (0.37) BTKJAK2JAK1JAK3
SCHEMBL13626824 0.87 BTK (0.48) BTKJAK2JAK1JAK3
SCHEMBL13626827 0.87 BTK (0.47) BTK
SCHEMBL13626468 0.87 BTK (0.49) BTK
SCHEMBL13626831 0.84 BTK (0.51) BTK
SCHEMBL13626133 0.83 BTK (0.57) BTK
SCHEMBL1423529 0.81 BTK (0.49) BTK
SCHEMBL13626126 0.81 BTK (0.49) BTKJAK2JAK1
SCHEMBL13626374 0.75 BTK (0.41) BTK

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