SCHEMBL301339

SCHEMBL301339

NC(=O)c1nc(-c2cncc(Cl)c2)nc2c1[nH]c(=O)n2-c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
GLA P06280 2/20 0.54
MAPT P10636 3/20 0.52
CSNK2A1 P68400 8/20 0.50
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
ESR1 P03372 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIK3CD O00329 3/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47

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
SCHEMBL300904 0.86 KDM4E (0.71) KDM4EGLAMAPTCSNK2A1ALDH1A1
SCHEMBL300857 0.83 CSNK2A1 (0.48) KDM4EGLAMAPTCSNK2A1USP2
SCHEMBL301340 0.83 PIK3CD (0.68) KDM4EGLAMAPTCSNK2A1PIK3CD
SCHEMBL300926 0.82 KDM4E (0.52) KDM4EGLAMAPTCSNK2A1TP53
SCHEMBL298519 0.82 KDM4E (0.54) KDM4EGLAMAPTCSNK2A1TP53
SCHEMBL15206604 0.81 HCAR1 (0.41) KDM4EMAPTALDH1A1
SCHEMBL29829917 0.81 HCAR1 (0.41) KDM4EMAPTALDH1A1
SCHEMBL300943 0.80 CSNK2A1 (0.51) KDM4EGLAMAPTCSNK2A1TP53
SCHEMBL300818 0.80 KDM4E (0.53) KDM4EGLAMAPTCSNK2A1TP53
SCHEMBL300839 0.77 KDM4E (0.51) KDM4EGLAMAPTCSNK2A1TP53

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 7 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-103857804-A Identification of gene expression profiles as predictive biomarkers for LKB1 status SIGNAL PHARM LLC 2014-06-11 CN 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
CN-101679432-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2010-03-24 CN disclosed