SCHEMBL19648864

SCHEMBL19648864

CCCCN(C)CCn1cc(-c2cnc3[nH]cc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.51
▸ IKBKE Q14164 10/20 0.47

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
SCHEMBL14981860 0.87 TBK1 (0.61) TBK1IKBKE
SCHEMBL14976697 0.87 TBK1 (0.60) TBK1IKBKE
SCHEMBL14977131 0.86 TBK1 (0.61) TBK1IKBKE
SCHEMBL14977054 0.85 TBK1 (0.68) TBK1
SCHEMBL14976741 0.85 TBK1 (0.61) TBK1IKBKE
SCHEMBL15555470 0.82 TBK1 (0.57) TBK1IKBKE
SCHEMBL15555443 0.82 TBK1 (0.51) TBK1IKBKE
SCHEMBL14976749 0.82 TBK1 (0.50) TBK1IKBKE
SCHEMBL14977031 0.81 TBK1 (0.62) TBK1IKBKE
SCHEMBL15555343 0.80 TBK1 (0.49) TBK1IKBKE

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
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 — — EP disclosed
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