SCHEMBL28028878

SCHEMBL28028878

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CHEK2 O96017 1/20 0.40
KIF11 P52732 1/20 0.40
CSNK2A1 P68400 3/20 0.40

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
SCHEMBL28028882 0.90 MTOR (0.59) MTORKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL28821952 0.89 MTOR (0.47) MTORKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL28028874 0.88 MTOR (0.47) MTORKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL28028876 0.86 MTOR (0.46) MTORKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL28029238 0.84 MTOR (0.44) MTORKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL28029224 0.84 MTOR (0.43) MTORKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL28198777 0.83 PIK3CA (0.44) MTORALDH1A1USP2LMNATSHR
SCHEMBL28029222 0.82 CYP1A2 (0.54) MTORGLAALDH1A1USP2LMNA
SCHEMBL28028898 0.81 MTOR (0.46) MTORKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL28948857 0.81 GRIN1 (0.46) MTORUSP2LMNATSHRCYP1A2

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