SCHEMBL3724929

SCHEMBL3724929

Nc1nc(Cl)cc(N2C3CCC2COC3)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
MTOR P42345 7/20 0.44
PIK3CA P42336 7/20 0.44
MAP3K12 Q12852 2/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
S1PR2 O95136 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RICTOR Q6R327 2/20 0.36
RPTOR Q8N122 2/20 0.36
MAPKAP1 Q9BPZ7 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL628089 0.84 PIK3CA (0.40) MAPTCYP1A2CYP2D6MTORPIK3CA
SCHEMBL30364648 0.83 MTOR (0.47) MTORPIK3CAMAP3K12RICTORRPTOR
SCHEMBL20692825 0.83 MTOR (0.47) MTORPIK3CAMAP3K12RICTORRPTOR
SCHEMBL628557 0.81 PIK3CA (0.39) MAPTCYP1A2CYP2D6MTORPIK3CA
SCHEMBL629594 0.73 MTOR (0.40) MTORPIK3CAMAP3K12SMN1; SMN2RICTOR
SCHEMBL9607534 0.71 MTOR (0.38) MTORPIK3CAMAP3K12PIK3CDPIK3CB
SCHEMBL21262121 0.71 MTOR (0.43) MTORPIK3CAMAP3K12RICTORRPTOR
SCHEMBL30137169 0.71 MTOR (0.43) MTORPIK3CAMAP3K12RICTORRPTOR
SCHEMBL23436359 0.70 MTOR (0.36) MTORPIK3CAMAP3K12PIK3CDPIK3R1
SCHEMBL20693010 0.70 CYP1A2 (0.54) MAPTCYP1A2CYP2D6MTORPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed