SCHEMBL21029958

SCHEMBL21029958

C[C@@H]1COCCN1c1nc(Cl)nc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.53
PIK3CA P42336 7/20 0.47
PIK3R1 P27986 2/20 0.47
RICTOR Q6R327 2/20 0.44
RPTOR Q8N122 2/20 0.44
MAPKAP1 Q9BPZ7 2/20 0.44
MLST8 Q9BVC4 2/20 0.44

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
SCHEMBL19629401 1.00 MTOR (0.53) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL21394004 1.00 MTOR (0.53) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL20692837 1.00 MTOR (0.53) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL10124249 0.97 MTOR (0.50) MTORPIK3CAPIK3R1
SCHEMBL14811270 0.97 MTOR (0.50) MTORPIK3CAPIK3R1
SCHEMBL14811271 0.97 MTOR (0.50) MTORPIK3CAPIK3R1
SCHEMBL23505802 0.92 MTOR (0.52) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL21375707 0.92 MTOR (0.52) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL21029901 0.92 MTOR (0.56) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL21375479 0.92 MTOR (0.52) MTORPIK3CAPIK3R1RICTORRPTOR

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
WO-2019101853-A1 TREATMENT OF SKIN DISORDERS PIQUR THERAPEUTICS AG (CH) 2019-05-31 WO disclosed