SCHEMBL298519

SCHEMBL298519

NC(=O)c1nc(-c2ccc(O)nc2)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
CSNK2A1 P68400 8/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PIK3CD O00329 3/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
PIK3CG P48736 3/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 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
SCHEMBL300904 0.86 KDM4E (0.71) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL300857 0.85 CSNK2A1 (0.48) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL301340 0.84 PIK3CD (0.68) KDM4EGLACSNK2A1PIK3CDPIK3CA
SCHEMBL301339 0.82 KDM4E (0.54) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL300839 0.82 KDM4E (0.51) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL300943 0.82 CSNK2A1 (0.51) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL300818 0.81 KDM4E (0.53) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL15206595 0.81 ADORA3 (0.40) KDM4EALDH1A1MAPTMEN1LMNA
SCHEMBL300926 0.79 KDM4E (0.52) KDM4EGLACSNK2A1ALDH1A1HPGD
SCHEMBL300833 0.78 PIK3CD (0.68) CSNK2A1PIK3CDPIK3CAPIK3CBPIK3CG

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 4 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