SCHEMBL29201811

SCHEMBL29201811

CCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.75
PIK3CD O00329 8/20 0.75
PIK3CA P42336 7/20 0.75
PIK3CG P48736 7/20 0.75
PRKDC P78527 5/20 0.75
DDR1 Q08345 4/20 0.75
PIK3CB P42338 6/20 0.74
ABL1 P00519 3/20 0.74
RICTOR Q6R327 3/20 0.70
RPTOR Q8N122 3/20 0.70
MAPKAP1 Q9BPZ7 3/20 0.70
MLST8 Q9BVC4 3/20 0.70
PIK3C3 Q8NEB9 1/20 0.70
HDAC1 Q13547 6/20 0.65
HDAC3 O15379 2/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
EGFR P00533 1/20 0.58
HCK P08631 1/20 0.58

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
SCHEMBL30880103 1.00 MTOR (0.75) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL23251652 0.89 MTOR (0.71) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL23150461 0.89 MTOR (0.73) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL25678062 0.88 MTOR (0.73) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL24914784 0.87 MTOR (0.79) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL24535668 0.86 PIK3CD (0.62) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL30666400 0.86 MTOR (0.69) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL28912862 0.86 MTOR (0.69) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL19283020 0.86 MTOR (0.75) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL22773819 0.86 MTOR (1.00) MTORPIK3CDPIK3CAPIK3CGPRKDC

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
CN-117958271-A Benzoxazole-like compounds and their use in the preparation of products for increasing plant resistance by closing stomata 北京大学现代农业研究院 2024-05-03 CN disclosed