SCHEMBL31403530

SCHEMBL31403530

COC(=O)c1cnc2c(c1)c(C)cn2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSMD14 O00487 1/20 0.39
NTRK1 P04629 10/20 0.38
CYP2A6 P11509 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL15970862 0.85 LRRK2 (0.39) ATMMAPK1KDM4EL3MBTL1PSMD14
SCHEMBL31403685 0.84 HCAR3 (0.41) NTRK1
SCHEMBL31403687 0.84 HCAR3 (0.41) NTRK1
SCHEMBL17963105 0.83 ATM (0.44) ATMMAPK1KDM4EL3MBTL1PSMD14
SCHEMBL15970982 0.78 PSMD14 (0.48) ATMMAPK1KDM4EL3MBTL1PSMD14
SCHEMBL31403718 0.76 PDE4A (0.41) ATMMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL22938906 0.74 MAPT (0.43) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL15970955 0.74 CSNK2A1 (0.39) ATMMAPK1KDM4EL3MBTL1PSMD14
SCHEMBL22272666 0.74 TYK2 (0.37) KDM4ENTRK1
SCHEMBL20688047 0.71 CCND1 (0.36) NTRK1

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