SCHEMBL31403608

SCHEMBL31403608

COC(=O)c1ncc2cnn(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
PDE1C Q14123 2/20 0.40
SPR P35270 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NOTUM Q6P988 2/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL31403751 0.81 KDM4E (0.39) SPRKDM4EALDH1A1
SCHEMBL31194629 0.81 KDM4E (0.39) SPRKDM4EALDH1A1
SCHEMBL30587601 0.80 AURKA (0.46) SPRKDM4EKMT2A
SCHEMBL18366934 0.80 AURKA (0.46) SPRKDM4EKMT2A
SCHEMBL30038342 0.79 RIPK1 (0.47)
SCHEMBL20262438 0.79 RIPK1 (0.47)
SCHEMBL18366925 0.77 MAPT (0.48) TP53KDM4EALDH1A1KMT2AMAPT
SCHEMBL31403731 0.77 AURKA (0.45)
SCHEMBL18366801 0.77 AURKA (0.47)
SCHEMBL30092718 0.77 MAPT (0.48) TP53KDM4EALDH1A1KMT2AMAPT

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