SCHEMBL24961968

SCHEMBL24961968

CC1COCCN1c1cc(N2CC3CC(C2)O3)nc2ccnn12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.39
PIK3CA P42336 3/20 0.37
PIK3CD O00329 1/20 0.37
ATR Q13535 10/20 0.37
ATRIP Q8WXE1 4/20 0.36
CHEK1 O14757 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PDE4D Q08499 4/20 0.36

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
SCHEMBL24961969 0.95 MTOR (0.44) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL27233200 0.95 MTOR (0.44) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL30516414 0.88 PIK3CD (0.46) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL24961679 0.81 MTOR (0.38) MTORPIK3CAATRATRIPCHEK1
SCHEMBL24962177 0.80 RAD52 (0.40)
SCHEMBL26297233 0.79 RAD52 (0.45) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL24962028 0.79 DPP4 (0.36)
SCHEMBL24962149 0.78 PDE10A (0.46) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL24962148 0.78 PDE10A (0.46) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL26297239 0.78 PIK3CD (0.41) MTORPIK3CAPIK3CDATRATRIP

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-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