SCHEMBL13626131

SCHEMBL13626131

CCc1sc(C(=O)Nc2nc(-c3cn(C)c(=O)c(Nc4ccc(N5CCN(C)CC5)cc4)n3)ccc2F)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.43
EGFR P00533 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL13626128 0.90 BTK (0.41) BTKEGFR
SCHEMBL13626122 0.89 BTK (0.55) BTK
SCHEMBL13626829 0.89 BTK (0.55) BTK
SCHEMBL13626374 0.84 BTK (0.41) BTK
SCHEMBL13626140 0.83 BTK (0.39) BTK
SCHEMBL13626472 0.83 BTK (0.55) BTK
SCHEMBL1422629 0.81 BTK (0.44) BTKBRD4
SCHEMBL13626828 0.80 BTK (0.43) BTKEGFRBRD4
SCHEMBL13626133 0.80 BTK (0.57) BTK
SCHEMBL13626485 0.78 SYK (0.47) 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