SCHEMBL26686167

SCHEMBL26686167

CC(=O)Nc1cc2c(cn1)c(N1CC(C#N)C1)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
OPRK1 P41145 1/20 0.34
PDE7A Q13946 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
CREBBP Q92793 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1F P30939 1/20 0.33
TYRO3 Q06418 1/20 0.33
PIK3CA P42336 3/20 0.32
PRKDC P78527 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TYK2 P29597 1/20 0.32
MTOR P42345 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL30632705 1.00 MAPK1 (0.39) MAPK1OPRK1PDE7ADGAT2CREBBP
SCHEMBL31543136 0.94 CREBBP (0.38) MAPK1OPRK1PDE7ADGAT2CREBBP
SCHEMBL30632637 0.87 MAPK1 (0.37) MAPK1OPRK1PDE7ADGAT2HTR1A
SCHEMBL26685697 0.87 MAPK1 (0.37) MAPK1OPRK1PDE7ADGAT2HTR1A
SCHEMBL26686137 0.87 OPRK1 (0.39) MAPK1OPRK1PDE7ADGAT2HTR1A
SCHEMBL30632780 0.87 OPRK1 (0.39) MAPK1OPRK1PDE7ADGAT2HTR1A
SCHEMBL30632696 0.85 TYRO3 (0.41) MAPK1OPRK1HTR1AHTR1DHTR1F
SCHEMBL26685834 0.85 TYRO3 (0.41) MAPK1OPRK1HTR1AHTR1DHTR1F
SCHEMBL30632621 0.84 HTR1A (0.43) MAPK1OPRK1PDE7ADGAT2CREBBP
SCHEMBL26685782 0.84 HTR1A (0.43) MAPK1OPRK1PDE7ADGAT2CREBBP

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