SCHEMBL14934007

SCHEMBL14934007

CB(OC(C)(C)C)c1cc(Nc2ccc(N3CCN(C4COC4)C[C@@H]3C)cn2)c(=O)n(C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.51
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
TEC P42680 1/20 0.49
TXK P42681 1/20 0.49
BLK P51451 1/20 0.49
BMX P51813 1/20 0.49
JAK3 P52333 1/20 0.49
CD69 Q07108 1/20 0.49
ITK Q08881 1/20 0.49
ERBB4 Q15303 1/20 0.49

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
SCHEMBL18730592 0.91 BTK (0.49) BTK
SCHEMBL14915720 0.87 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14915718 0.87 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL20281235 0.85 BTK (0.62) BTKEGFRERBB2TECTXK
SCHEMBL25707138 0.84 BTK (0.58) BTKEGFRERBB2TECTXK
SCHEMBL18777835 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14914054 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14916195 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL31158074 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14913070 0.83 BTK (0.55) BTKEGFRERBB2TECTXK

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-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed