SCHEMBL14976544

SCHEMBL14976544

CC(C)(C)C1CC(n2cc(-c3cnc4[nH]cc(-c5ccc(OC6CCOCC6)c(C#N)c5)c4c3)nn2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.44

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
SCHEMBL16194552 0.86 TBK1 (0.55) TBK1
SCHEMBL14976902 0.85 TBK1 (0.55) TBK1
SCHEMBL14975878 0.82 TBK1 (0.59) TBK1
Hydrochloric Acid SCHEMBL16194946 0.82 TBK1 (0.58) TBK1
SCHEMBL14981799 0.76 TBK1 (0.56) TBK1
SCHEMBL14977084 0.76 TBK1 (0.56) TBK1
SCHEMBL14977825 0.75 TBK1 (0.54) TBK1
SCHEMBL14977031 0.74 TBK1 (0.62) TBK1
SCHEMBL15554180 0.74 TBK1 (0.59) TBK1
SCHEMBL14977054 0.74 TBK1 (0.68) TBK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794602-A1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-10-29 — — EP disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 — — WO disclosed
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