SCHEMBL31403678

SCHEMBL31403678

O=C(O)c1cnc2c(ccn2CC2CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
MAP3K5 Q99683 1/20 0.39
MGAM O43451 1/20 0.38
JAK1 P23458 1/20 0.38
HCAR3 P49019 1/20 0.38
PTGER4 P35408 1/20 0.38
XDH P47989 1/20 0.38
P2RY14 Q15391 1/20 0.38
JAK2 O60674 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAP4K4 O95819 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL23938080 0.79 GRIN2B (0.43) MAP3K5JAK1JAK2HDAC6
SCHEMBL24729940 0.79 GRIN2B (0.43) MAP3K5JAK1JAK2
SCHEMBL20731030 0.79 CYP1A2 (0.38) PIK3CAJAK1JAK2HDAC6
SCHEMBL30479467 0.78 MGAM (0.44) KDM4CMAP3K5MGAMHCAR3
SCHEMBL14822494 0.78 MGAM (0.44) KDM4CMAP3K5MGAMHCAR3
SCHEMBL31403701 0.77 AURKA (0.52) MGAMHCAR3
SCHEMBL20731013 0.76 GLO1 (0.45) KDM4CMGAMHCAR3
SCHEMBL18993138 0.75 MGAM (0.41) MAP3K5MGAMJAK1JAK2
SCHEMBL15712202 0.75 PKM (0.38) MTORJAK1JAK2HDAC6
SCHEMBL31403604 0.74 AURKA (0.48) MAP3K5MGAMHCAR3

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-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed