SCHEMBL24962149

SCHEMBL24962149

CC1COCCN1c1cc(Cl)nc2ccnn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
ATR Q13535 10/20 0.43
MTOR P42345 3/20 0.42
PDE4D Q08499 1/20 0.40
PDCD1 Q15116 9/20 0.39
CD274 Q9NZQ7 9/20 0.39
CHEK1 O14757 7/20 0.39
ATRIP Q8WXE1 7/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.38

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
SCHEMBL24962148 1.00 PDE10A (0.46) PDE10AATRMTORPDE4DPDCD1
SCHEMBL30516414 0.87 PIK3CD (0.46) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL25159980 0.81 ATR (0.49) PDE10AATRPDE4DPDCD1CD274
SCHEMBL24961968 0.78 MTOR (0.39) ATRMTORPDE4DPDCD1CD274
SCHEMBL24961969 0.78 MTOR (0.44) ATRMTORPDE4DPDCD1CD274
SCHEMBL27233200 0.78 MTOR (0.44) ATRMTORPDE4DPDCD1CD274
SCHEMBL13263839 0.77 PDE10A (0.54) PDE10A
SCHEMBL2370376 0.77 MTOR (0.55) ATRMTORPIK3CA
SCHEMBL2370380 0.77 MTOR (0.55) ATRMTORPIK3CA
SCHEMBL24170909 0.77 ATR (0.42) ATRMTORPDCD1CD274CHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677730-A 8-oxygen-3-azabicyclo [3.2.1] octane compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2023-02-03 CN disclosed
WO-2023005928-A1 8-OXO-3-AZABICYCLO[3.2.1]OCTANE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-02-02 WO disclosed