SCHEMBL26685697

SCHEMBL26685697

CC(=O)Nc1cc2c(cn1)c(N1CC3CC(C1)O3)nn2C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1F P30939 1/20 0.36
PDE7A Q13946 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
PIK3CA P42336 6/20 0.33
MTOR P42345 4/20 0.33
TYRO3 Q06418 1/20 0.33
PRKDC P78527 2/20 0.33
OPRK1 P41145 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ATR Q13535 1/20 0.33
TYK2 P29597 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33

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
SCHEMBL30632637 1.00 MAPK1 (0.37) MAPK1HTR1AHTR1DHTR1FPDE7A
SCHEMBL26685819 0.92 MAPK1 (0.37) MAPK1DGAT2PIK3CAMTORTYRO3
SCHEMBL31543335 0.91 MAPK1 (0.37) MAPK1DGAT2PIK3CAMTORTYRO3
SCHEMBL30632721 0.91 MAPK1 (0.37) MAPK1DGAT2PIK3CAMTORTYRO3
SCHEMBL31692006 0.90 MAPK1 (0.35) MAPK1DGAT2PIK3CAMTORTYRO3
SCHEMBL30632780 0.89 OPRK1 (0.39) MAPK1HTR1AHTR1DHTR1FPDE7A
SCHEMBL26686137 0.89 OPRK1 (0.39) MAPK1HTR1AHTR1DHTR1FPDE7A
SCHEMBL26686167 0.87 MAPK1 (0.39) MAPK1HTR1AHTR1DHTR1FPDE7A
SCHEMBL30632705 0.87 MAPK1 (0.39) MAPK1HTR1AHTR1DHTR1FPDE7A
SCHEMBL30632696 0.87 TYRO3 (0.41) MAPK1HTR1AHTR1DHTR1FPIK3CA

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
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed