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SCHEMBL17399343

SCHEMBL17399343

CC(C)(C)OC(=O)N1C2CC[C@@H]1CC(c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c1I)C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.45
▸ RPTOR Q8N122 5/20 0.45
▸ MLST8 Q9BVC4 5/20 0.45
▸ DGAT1 O75907 7/20 0.38
▸ GPR119 Q8TDV5 4/20 0.31
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ KCNK3 O14649 1/20 0.30
▸ KCNK9 Q9NPC2 1/20 0.30

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
SCHEMBL2147359 1.00 MTOR (0.45) MTORRPTORMLST8DGAT1GPR119
SCHEMBL12460322 1.00 MTOR (0.45) MTORRPTORMLST8DGAT1GPR119
SCHEMBL2147355 1.00 MTOR (0.45) MTORRPTORMLST8DGAT1GPR119
SCHEMBL14246282 0.95 MTOR (0.40) MTORRPTORMLST8DGAT1KCNK3
SCHEMBL2148109 0.93 MTOR (0.47) MTORRPTORMLST8DGAT1GPR119
SCHEMBL2147120 0.93 MTOR (0.47) MTORRPTORMLST8DGAT1GPR119
SCHEMBL12461007 0.93 MTOR (0.47) MTORRPTORMLST8DGAT1GPR119
SCHEMBL17399442 0.93 MTOR (0.47) MTORRPTORMLST8DGAT1GPR119
SCHEMBL2148271 0.92 MTOR (0.45) MTORRPTORMLST8DGAT1GPR119
SCHEMBL17399399 0.92 MTOR (0.45) MTORRPTORMLST8DGAT1GPR119

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
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed