SCHEMBL3965260

SCHEMBL3965260

CC(=O)N1CCN(C(=O)c2ccc(NCc3cc(-c4cccc(NC(=O)c5cc6c(s5)CCCC6)c4C)c[nH]c3=O)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.46
BDKRB1 P46663 3/20 0.43
EGFR P00533 1/20 0.41
BMX P51813 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL3964069 0.90 BTK (0.44) BTKBDKRB1EGFRBMXJAK3
SCHEMBL3957050 0.86 BTK (0.55) BTKBDKRB1BMXJAK3
SCHEMBL3963771 0.83 BTK (0.45) BTKEGFRBMXJAK3
SCHEMBL1321960 0.83 BTK (0.58) BTKEGFRBMXJAK3
SCHEMBL1322870 0.81 BTK (0.70) BTKEGFRBMXJAK3
SCHEMBL1322726 0.80 BTK (0.69) BTKEGFRBMXJAK3
SCHEMBL1323318 0.77 BTK (0.72) BTKEGFRBMXJAK3
SCHEMBL1322002 0.76 BTK (0.71) BTKEGFRBMXJAK3
SCHEMBL3961204 0.76 BTK (0.52) BTKBDKRB1BMXJAK3
SCHEMBL1321948 0.75 BTK (0.72) BTKEGFRBMXJAK3

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