SCHEMBL24699240

SCHEMBL24699240

COc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1S(=N)(=O)CC1COCOC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.35
PIK3CA P42336 3/20 0.34
PIK3R1 P27986 2/20 0.33
FECH P22830 1/20 0.33
KCNH2 Q12809 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33

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
SCHEMBL24699239 0.89 HMOX1 (0.34) MTOR
SCHEMBL24697981 0.85 PIK3R1 (0.36) MTORPIK3CAPIK3R1KCNH2
SCHEMBL24699603 0.83 BRD4 (0.37) PIK3CAPIK3R1
SCHEMBL30015790 0.80 MTOR (0.32) MTOR
SCHEMBL24698640 0.80 MTOR (0.32) MTOR
SCHEMBL30016531 0.78 PI4KB (0.36) MTOR
SCHEMBL24697976 0.78 PI4KB (0.36) MTOR
SCHEMBL24699229 0.77 MTOR (0.36) MTORKCNH2
SCHEMBL30016058 0.77 MTOR (0.36) MTORKCNH2
SCHEMBL24699069 0.76 PI4KB (0.35) MTOR

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed