SCHEMBL31403633

SCHEMBL31403633

COC(=O)c1cnc2c(ccn2C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.43
AURKA O14965 1/20 0.40
MAPK1 P28482 2/20 0.40
MAP3K5 Q99683 1/20 0.39
ATM Q13315 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
EGFR P00533 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
SCHEMBL31403606 0.95 AURKA (0.43) PSMD14AURKAMAPK1ATMALDH1A1
SCHEMBL31403508 0.92 HPGDS (0.42) PSMD14AURKAKDM4EALDH1A1HPGD
SCHEMBL31403618 0.92 HTR1A (0.43) PSMD14AURKAMAPK1CHRNB2CHRNA7
SCHEMBL31403672 0.89 DGAT1 (0.42) PSMD14AURKAMAPK1ATMKDM4E
SCHEMBL31403477 0.85 GPR119 (0.45) ALDH1A1
SCHEMBL31403604 0.83 AURKA (0.48) PSMD14AURKAMAP3K5GAAHPGD
SCHEMBL31403664 0.82 PIK3CA (0.40) PSMD14EGFR
SCHEMBL13199654 0.79 PSMD14 (0.48) PSMD14MAPK1ATMKDM4EALDH1A1
SCHEMBL13941183 0.78 PSMD14 (0.45) PSMD14MAPK1ATMKDM4EALDH1A1
SCHEMBL31403701 0.78 AURKA (0.52) PSMD14AURKAGAAHPGDHSD17B10

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