SCHEMBL29523005

SCHEMBL29523005

COCCN1C(=O)CNc2ncc(-c3ccc4cc[nH]c4c3)nc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.67
PIK3CA P42336 9/20 0.67
RPTOR Q8N122 8/20 0.67
MLST8 Q9BVC4 8/20 0.67
KCNH2 Q12809 3/20 0.43
CHRNA7 P36544 2/20 0.43
CSF1R P07333 2/20 0.42
PIK3CD O00329 1/20 0.42
FLT4 P35916 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PRKDC P78527 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL29543605 0.89 MTOR (0.64) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL137345 0.89 MTOR (0.64) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL138483 0.87 MTOR (0.64) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL138845 0.84 MTOR (0.68) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL29522192 0.84 MTOR (0.68) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL29522226 0.82 MTOR (0.56) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL138560 0.82 MTOR (0.88) MTORPIK3CARPTORMLST8
SCHEMBL29522104 0.82 MTOR (0.88) MTORPIK3CARPTORMLST8
SCHEMBL29522326 0.81 MTOR (0.80) MTORPIK3CARPTORMLST8KCNH2
SCHEMBL29522028 0.80 MTOR (1.00) MTORPIK3CARPTORMLST8KCNH2

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-106117213-B Heteroaryl compounds and methods for their synthesis and purification 西格诺药品有限公司 2022-03-18 CN disclosed