SCHEMBL3727027

SCHEMBL3727027

Clc1nc2c(c(N3C4CCC3COC4)n1)CNC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
RICTOR Q6R327 2/20 0.31
RPTOR Q8N122 2/20 0.31
MAPKAP1 Q9BPZ7 2/20 0.31
MLST8 Q9BVC4 2/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 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
SCHEMBL3727019 0.88 HTR2A (0.31)
SCHEMBL3723470 0.77 WNT3A (0.36) PIK3R1PIK3CAMTORRICTORRPTOR
SCHEMBL629349 0.76 JAK2 (0.35) PIK3R1PIK3CAMTORRICTORRPTOR
SCHEMBL7875027 0.73 CYP2C19 (0.38) PIK3R1PIK3CAMTORRICTORRPTOR
SCHEMBL414059 0.72 MTOR (0.44) PIK3R1PIK3CAMTOR
Hydrochloric Acid SCHEMBL22718448 0.71 MTOR (0.43) PIK3R1PIK3CAMTOR
SCHEMBL413900 0.70 MTOR (0.44) PIK3R1PIK3CAMTORRICTORRPTOR
SCHEMBL442259 0.70 MTOR (0.44) PIK3R1PIK3CAMTORRICTORRPTOR
Hydrochloric Acid SCHEMBL443380 0.69 MTOR (0.43) PIK3R1PIK3CAMTORRICTORRPTOR
Hydrochloric Acid SCHEMBL443379 0.69 MTOR (0.43) PIK3R1PIK3CAMTORRICTORRPTOR

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-2010120996-A1 5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed