SCHEMBL300607

SCHEMBL300607

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(Nc3cccc(CO)c3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
HPGD P15428 4/20 0.59
ALDH1A1 P00352 4/20 0.58
GLA P06280 2/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 3/20 0.48
USP2 O75604 3/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
BRCA1 P38398 1/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44

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
SCHEMBL300795 0.89 KDM4E (0.59) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL4224600 0.88 KDM4E (0.53) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL27775418 0.86 CSNK2A1 (0.58) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL300939 0.84 KDM4E (0.62) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL301233 0.84 KDM4E (0.61) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL28299737 0.84 KDM4E (0.42) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL297473 0.84 KDM4E (0.73) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL301342 0.82 KDM4E (0.65) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300971 0.82 KDM4E (0.62) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL29828933 0.81 GSK3B (0.48) ALDH1A1HSD17B10USP2TSHRMAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed
CN-107976546-B Inhibition of phosphorylation of TOR kinase inhibitory Activity markers PRAS40, GSK 3-beta, or P70S6K1 西格诺药品有限公司 2020-10-27 CN disclosed
CN-110721186-A Treatment of prostate cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-24 CN disclosed
CN-107157990-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-07 CN disclosed
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
EP-2817029-A1 METHODS FOR TREATING NON- SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY Signal Pharmaceuticals, LLC (US) 2014-12-31 EP disclosed
WO-2013126636-A1 METHODS FOR TREATING NON- SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 WO disclosed
CN-102821767-A IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARM LLC 2012-12-12 CN disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed