SCHEMBL17399345

SCHEMBL17399345

CC(C)(C)OC(=O)N1C2CC[C@@H]1CC(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.42
RPTOR Q8N122 5/20 0.42
MLST8 Q9BVC4 5/20 0.42
DGAT1 O75907 7/20 0.38
GPR119 Q8TDV5 4/20 0.34
EIF2AK4 Q9P2K8 1/20 0.32
HPGDS O60760 1/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31

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
SCHEMBL12461161 1.00 MTOR (0.42) MTORRPTORMLST8DGAT1GPR119
SCHEMBL30182 1.00 MTOR (0.42) MTORRPTORMLST8DGAT1GPR119
SCHEMBL12460330 1.00 MTOR (0.42) MTORRPTORMLST8DGAT1GPR119
SCHEMBL2146976 1.00 MTOR (0.42) MTORRPTORMLST8DGAT1GPR119
SCHEMBL12461327 1.00 MTOR (0.42) MTORRPTORMLST8DGAT1GPR119
SCHEMBL14298827 0.97 MTOR (0.40) MTORRPTORMLST8DGAT1GPR119
SCHEMBL2147097 0.97 MTOR (0.40) MTORRPTORMLST8DGAT1GPR119
SCHEMBL15026304 0.95 MTOR (0.37) MTORRPTORMLST8DGAT1GPR119
SCHEMBL2147662 0.95 MTOR (0.39) MTORRPTORMLST8DGAT1GPR119
SCHEMBL14298832 0.95 MTOR (0.39) 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