SCHEMBL28028876

SCHEMBL28028876

COc1ccccc1Cn1c(=O)[nH]c2c(N[C]=O)nc(-c3ccc(C(C)CO)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NUDT1 P36639 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL28028875 0.91 MTOR (0.42) MTORMEN1KMT2ARXFP1NUDT1
SCHEMBL28028882 0.88 MTOR (0.59) MTORMEN1KMT2ANUDT1LMNA
SCHEMBL28028878 0.86 MTOR (0.48) MTORMEN1KMT2ARXFP1LMNA
SCHEMBL28028874 0.85 MTOR (0.47) MTORMEN1KMT2ANUDT1LMNA
SCHEMBL28821952 0.85 MTOR (0.47) MTORMEN1KMT2ANUDT1LMNA
SCHEMBL28029238 0.81 MTOR (0.44) MTORMEN1KMT2ANUDT1LMNA
SCHEMBL28029224 0.80 MTOR (0.43) MTORMEN1KMT2ARXFP1NUDT1
SCHEMBL28029222 0.80 CYP1A2 (0.54) MTORMEN1KMT2ALMNACYP1A2
SCHEMBL28028898 0.79 MTOR (0.46) MTORMEN1KMT2ARXFP1NUDT1
SCHEMBL28198777 0.79 PIK3CA (0.44) MTORMEN1KMT2ALMNACYP1A2

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 3 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
CN-104870998-A Inhibition of phosphorylation of PRAS40, GSK 3-beta or P70S6K1 as a marker of TOR kinase inhibitory activity SIGNAL PHARM LLC 2015-08-26 CN disclosed