SCHEMBL13626126

SCHEMBL13626126

CCc1sc(C(=O)Nc2c(C)ccc(-c3cn(C)c(=O)c(Nc4cnn(CC)c4)n3)c2Cl)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.49
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 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
SCHEMBL13626468 0.88 BTK (0.49) BTK
SCHEMBL13626130 0.88 BTK (0.49) BTK
SCHEMBL13626824 0.87 BTK (0.48) BTKJAK2JAK1TYK2
SCHEMBL13626830 0.85 BTK (0.52) BTK
SCHEMBL13626140 0.82 BTK (0.39) BTKJAK2JAK1TYK2
SCHEMBL1423879 0.82 BTK (0.51) BTK
SCHEMBL13626129 0.81 BTK (0.47) BTKJAK2JAK1
SCHEMBL13626376 0.81 BTK (0.37) BTKJAK2JAK1TYK2
SCHEMBL13626184 0.74 BTK (0.48) BTK
SCHEMBL13626375 0.72 BTK (0.52) 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