SCHEMBL13626138

SCHEMBL13626138

CCc1sc(C(=O)Nc2c(C)ccc(-c3cc(Nc4ccc(N5CCN(C)CC5)cn4)c(=O)n(C)c3)c2Cl)cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.51
YES1 P07947 1/20 0.41
FGR P09769 1/20 0.41
TEC P42680 1/20 0.41
BMX P51813 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLK Q9H2G2 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
SCHEMBL13626142 0.89 BTK (0.54) BTKYES1FGRTECBMX
SCHEMBL13626823 0.85 CCND1 (0.40) BTK
SCHEMBL13626132 0.84 BTK (0.50) BTKYES1FGRTECBMX
SCHEMBL13626182 0.83 BTK (0.48) BTKYES1FGRTECBMX
SCHEMBL1423507 0.82 BTK (0.51) BTKYES1FGRTECBMX
SCHEMBL13626373 0.78 BTK (0.41) BTKFGRTECBMX
SCHEMBL13626372 0.74 CCND1 (0.46) BTKYES1FGRTECBMX
SCHEMBL13626127 0.73 CCND1 (0.43) BTKYES1FGRTECBMX
SCHEMBL1322596 0.71 BTK (0.73) BTKYES1FGRTECBMX
SCHEMBL1423616 0.71 BTK (0.54) BTKYES1FGRTECBMX

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