SCHEMBL31403604

SCHEMBL31403604

O=C(O)c1cnc2c(ccn2C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
MGAM O43451 1/20 0.43
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CDK4 P11802 1/20 0.39
PSMD14 O00487 1/20 0.38
SCD O00767 1/20 0.38
HCAR3 P49019 3/20 0.38
DGAT1 O75907 1/20 0.38
MAP3K5 Q99683 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL31403701 0.94 AURKA (0.52) AURKAMGAMHSD17B10GAACDK4
SCHEMBL31403655 0.91 AURKA (0.44) AURKAMGAMHSD17B10GAACDK4
SCHEMBL31403695 0.90 KDM2B (0.46) AURKAMGAMHSD17B10GAACDK4
SCHEMBL31403738 0.87 DGAT1 (0.44) AURKAMGAMHSD17B10GAAPSMD14
SCHEMBL31403633 0.83 PSMD14 (0.43) AURKAHSD17B10GAACDK4PSMD14
SCHEMBL31403478 0.82 GPR119 (0.46)
SCHEMBL31403606 0.79 AURKA (0.43) AURKACDK4PSMD14DGAT1
SCHEMBL14844738 0.79 DGAT1 (0.40) PSMD14DGAT1
SCHEMBL31403535 0.78 PIK3CA (0.40)
SCHEMBL21958555 0.78 DGAT1 (0.38) AURKACDK4DGAT1MAP3K5

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