SCHEMBL29522003

SCHEMBL29522003

O=C1CN(CCC2CCOCC2)c2nc(Br)cnc2N1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.63
PIK3CA P42336 12/20 0.62
RPTOR Q8N122 8/20 0.62
MLST8 Q9BVC4 8/20 0.62
RICTOR Q6R327 2/20 0.62
MAPKAP1 Q9BPZ7 2/20 0.62
CSF1R P07333 1/20 0.51
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL154634 1.00 MTOR (0.63) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL154183 0.89 MTOR (0.60) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522610 0.89 MTOR (0.60) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29828973 0.83 MTOR (0.58) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29521991 0.83 MTOR (0.58) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522509 0.83 MTOR (0.44) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL153950 0.83 MTOR (0.44) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL28690456 0.79 MTOR (0.42) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522157 0.79 MTOR (0.59) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL152295 0.79 MTOR (0.59) MTORPIK3CARPTORMLST8RICTOR

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
CN-106117213-B Heteroaryl compounds and methods for their synthesis and purification 西格诺药品有限公司 2022-03-18 CN disclosed