SCHEMBL29522171

SCHEMBL29522171

CO[C@H]1CC[C@@H](CN2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 1.00
▸ PIK3CA P42336 13/20 1.00
▸ RPTOR Q8N122 10/20 1.00
▸ MLST8 Q9BVC4 10/20 1.00
▸ RICTOR Q6R327 3/20 0.78
▸ MAPKAP1 Q9BPZ7 3/20 0.78
▸ CSF1R P07333 2/20 0.78
▸ PIK3CD O00329 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ PIK3CB P42338 1/20 0.59
▸ PIK3CG P48736 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ PIK3C3 Q8NEB9 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59

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
SCHEMBL155597 1.00 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522200 1.00 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL154223 1.00 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL154224 1.00 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL150651 0.95 MTOR (0.90) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL154939 0.95 MTOR (0.90) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL155536 0.95 MTOR (0.90) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL135899 0.95 MTOR (0.90) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522040 0.95 MTOR (0.90) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29521998 0.95 MTOR (0.90) 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
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