SCHEMBL301157

SCHEMBL301157

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cc(C(F)F)ccc3F)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 4/20 0.61
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 5/20 0.58
USP2 O75604 4/20 0.58
TSHR P16473 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
BRCA1 P38398 2/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
LMNA P02545 2/20 0.52
KIF5C O60282 1/20 0.51
KIF11 P52732 1/20 0.51
KIF5A Q12840 1/20 0.51

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
SCHEMBL298073 0.86 KDM4E (0.70) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL27775392 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL28299772 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL296211 0.82 KDM4E (0.71) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL296230 0.81 KDM4E (0.72) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300827 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL15205743 0.80 USP1 (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL27899827 0.80 KDM4E (0.75) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300858 0.79 KDM4E (0.76) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300825 0.79 KDM4E (0.82) KDM4EALDH1A1HPGDGLAGAA

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 9 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
EP-2909627-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY Signal Pharmaceuticals, LLC (US) 2015-08-26 EP disclosed
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
WO-2014066125-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2014-05-01 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