SCHEMBL17399229

SCHEMBL17399229

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.34
GPR119 Q8TDV5 3/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
KCNK3 O14649 5/20 0.33
KCNK9 Q9NPC2 5/20 0.33
MTOR P42345 2/20 0.32
RPTOR Q8N122 2/20 0.32
MLST8 Q9BVC4 2/20 0.32
DGAT1 O75907 2/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL14316244 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL12461414 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL14298329 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147933 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL30766 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147571 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL28913 0.93 EIF2AK4 (0.33) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147546 0.92 EIF2AK4 (0.33) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147553 0.92 EIF2AK4 (0.33) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL14298636 0.92 EIF2AK4 (0.32) RETGPR119SUV39H2EIF2AK4KCNK3

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