SCHEMBL12956109

SCHEMBL12956109

C=C(Nc1cccc(-c2cc(Nc3ccc(N(CC)CC)nn3)c(=O)n(C)c2)c1C)c1cc2c(s1)CCCCC2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.59
EGFR P00533 1/20 0.48
BMX P51813 1/20 0.48
JAK3 P52333 1/20 0.48
CD69 Q07108 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
SCHEMBL3961943 0.93 BTK (0.69) BTKEGFRBMXJAK3CD69
SCHEMBL1038343 0.92 BTK (0.69) BTKEGFRBMXJAK3CD69
SCHEMBL13078377 0.84 BTK (0.60) BTKEGFRBMXJAK3CD69
SCHEMBL13044179 0.83 BTK (0.66) BTKEGFRBMXJAK3CD69
SCHEMBL12956034 0.80 BTK (0.71) BTKEGFRBMXJAK3CD69
SCHEMBL12956349 0.79 BTK (0.66) BTKEGFRBMXJAK3CD69
SCHEMBL13044139 0.79 BTK (0.72) BTKEGFRBMXJAK3CD69
SCHEMBL12955977 0.79 BTK (0.66) BTKEGFRBMXJAK3CD69
SCHEMBL12956162 0.78 BTK (0.67) BTKEGFRBMXJAK3CD69
SCHEMBL13044107 0.78 BTK (0.67) BTKEGFRBMXJAK3CD69

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
EP-2079726-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed