SCHEMBL19668087

SCHEMBL19668087

C[C@H](c1ccnc(N)c1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.52

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
SCHEMBL18985775 1.00 TBK1 (0.52) TBK1
SCHEMBL30644627 0.84 OGA (0.55) TBK1
SCHEMBL17541630 0.84 OGA (0.55) TBK1
SCHEMBL19005178 0.83 OGA (0.45)
SCHEMBL209672 0.83 GPR119 (0.49) TBK1
SCHEMBL18291472 0.82 HTT (0.46) TBK1
SCHEMBL19283832 0.81 OGA (0.53) TBK1
SCHEMBL6178837 0.79 MEN1 (0.54) TBK1
SCHEMBL30982158 0.78 MAPT (0.52)
SCHEMBL20507562 0.78 MAPT (0.52)

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-2017207534-A1 SUBSTITUTED HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed