SCHEMBL28855796

SCHEMBL28855796

COc1ccccc1Cn1c(=O)[nH]c2c(N[C]=O)nc(-c3cccc(NC[SH](=O)=O)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
USP2 O75604 6/20 0.41
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C19 P33261 6/20 0.41
LMNA P02545 4/20 0.41
CYP2C9 P11712 4/20 0.41
TSHR P16473 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
MTOR P42345 1/20 0.41
HIF1A Q16665 2/20 0.38
TLR9 Q9NR96 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28198777 0.88 PIK3CA (0.44) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28029238 0.85 MTOR (0.44) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28029224 0.85 MTOR (0.43) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28029222 0.85 CYP1A2 (0.54) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28948857 0.83 GRIN1 (0.46) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28029213 0.82 ADORA2A (0.44) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28028874 0.82 MTOR (0.47) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28028875 0.81 MTOR (0.42) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28821952 0.81 MTOR (0.47) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL28028882 0.81 MTOR (0.59) MEN1KMT2AUSP2CYP1A2CYP3A4

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
CN-107976546-A Inhibition of phosphorylation to TOR kinase inhibiting activities mark PRAS40, GSK3- β or P70S6K1 西格诺药品有限公司 2018-05-01 CN disclosed
CN-104870998-B inhibition of phosphorylation of PRAS40, GSK3- β or P70S6K1 as a marker of TOR kinase inhibitory activity 西格诺药品有限公司 2018-02-02 CN disclosed