SCHEMBL300839

SCHEMBL300839

NC(=O)c1nc(-c2cccnc2O)nc2c1[nH]c(=O)n2-c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
HSD17B10 Q99714 6/20 0.51
ALDH1A1 P00352 4/20 0.51
USP2 O75604 3/20 0.51
TSHR P16473 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 4/20 0.50
GLA P06280 2/20 0.49
CSNK2A1 P68400 3/20 0.48
NPSR1 Q6W5P4 4/20 0.47
GAA P10253 4/20 0.47
BRCA1 P38398 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALPL P05186 1/20 0.44
ALPI P09923 1/20 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
SCHEMBL300818 0.85 KDM4E (0.53) KDM4EHSD17B10ALDH1A1USP2TSHR
SCHEMBL300904 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDGLACSNK2A1
SCHEMBL300926 0.82 KDM4E (0.52) KDM4EHSD17B10ALDH1A1USP2TSHR
SCHEMBL298519 0.82 KDM4E (0.54) KDM4EHSD17B10ALDH1A1USP2TSHR
SCHEMBL301340 0.81 PIK3CD (0.68) KDM4EGLACSNK2A1PIK3CDPIK3CA
SCHEMBL15206555 0.80 USP1 (0.40) KDM4EMAPT
SCHEMBL300827 0.80 KDM4E (0.73) KDM4EHSD17B10ALDH1A1USP2TSHR
SCHEMBL301339 0.77 KDM4E (0.54) KDM4EHSD17B10ALDH1A1USP2TSHR
SCHEMBL300943 0.77 CSNK2A1 (0.51) KDM4EALDH1A1USP2TSHRLMNA
SCHEMBL300857 0.76 CSNK2A1 (0.48) KDM4EHSD17B10ALDH1A1USP2TSHR

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 6 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-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