SCHEMBL29448378

SCHEMBL29448378

COc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
HSP90AA1 P07900 9/20 0.54
HSP90B1 P14625 8/20 0.54
PDGFRB P09619 1/20 0.48
ESR2 Q92731 1/20 0.48
NR1H2 P55055 2/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
GPR119 Q8TDV5 1/20 0.42
MAPK1 P28482 1/20 0.42
ENPP2 Q13822 1/20 0.41
FYN P06241 1/20 0.40

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
SCHEMBL3878893 1.00 MAPT (0.64) MAPTHSP90AA1HSP90B1PDGFRBESR2
SCHEMBL27233890 0.90 MAPT (0.53) MAPTHSP90AA1HSP90B1PDGFRBESR2
SCHEMBL13028051 0.89 DDB1 (0.52) MAPTHSP90AA1HSP90B1PDGFRBESR2
SCHEMBL22892388 0.85 MAPT (0.59) MAPTHSP90AA1HSP90B1ESR2NR1H2
SCHEMBL25574538 0.85 MAPT (0.67) MAPTHSP90AA1HSP90B1PDGFRBESR2
SCHEMBL4869824 0.85 MAPT (0.67) MAPTHSP90AA1HSP90B1PDGFRBESR2
SCHEMBL30378007 0.85 MAPT (0.67) MAPTHSP90AA1HSP90B1PDGFRBESR2
SCHEMBL19475563 0.84 MAPT (0.65) MAPTHSP90AA1PDGFRBESR2NR1H2
SCHEMBL3530060 0.84 MAPT (0.65) MAPTPDGFRBESR2NR1H2DDB1
SCHEMBL29757600 0.84 MAPT (0.65) MAPTHSP90AA1PDGFRBESR2NR1H2

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
CN-110088104-B Tetrahydropyridopyrimidine compounds for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed