SCHEMBL16712263

SCHEMBL16712263

CCCCc1ccccc1C(=O)Nc1cccc(-c2cn3ccnc3c(Nc3ccc(/C(=N\C)NC)cc3)n2)c1C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.41
AURKA O14965 5/20 0.40
SYK P43405 7/20 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
SCHEMBL16712265 1.00 BTK (0.41) BTKAURKASYK
SCHEMBL1068183 0.83 BTK (0.58) BTKAURKASYK
SCHEMBL16712264 0.79 AURKA (0.41) BTKAURKASYK
SCHEMBL27737926 0.76 BTK (0.57) BTK
SCHEMBL27737943 0.75 BTK (0.54) BTK
SCHEMBL27716943 0.75 BTK (0.52) BTK
SCHEMBL27716852 0.74 BTK (0.53) BTK
SCHEMBL27716825 0.74 BTK (0.51) BTK
SCHEMBL27737908 0.74 BTK (0.55) BTK
SCHEMBL27737929 0.74 BTK (0.53) 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
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed