SCHEMBL4668767

SCHEMBL4668767

COc1ccc(C=O)c(N)c1.COc1ccc2cnc(O)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.48
TYR P14679 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
ERN1 O75460 1/20 0.44
HPGDS O60760 8/20 0.43
EGFR P00533 2/20 0.43
ALDH1A1 P00352 4/20 0.42
NCF1 P14598 1/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1632721 0.84 EGFR (0.57) HPGDSEGFRALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL28295069 0.82 EGFR (0.56) HPGDSEGFRALDH1A1KDM4EKMT2A
SCHEMBL1571550 0.79 ALDH1A1 (0.63) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL3428021 0.75 EGFR (0.57) TRIM24TYRTRIM33HPGDSEGFR
SCHEMBL30979897 0.72 EGFR (0.57) HPGDSEGFRALDH1A1NCF1KDM4E
SCHEMBL27801337 0.70 GLA (0.49) HPGDSALDH1A1KDM4EGAAMAPT
SCHEMBL14074042 0.69 ALDH1A1 (0.54) TRIM24TYRTRIM33ERN1HPGDS
SCHEMBL28150290 0.68 TYR (0.96) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL4785420 0.68 ALDH1A1 (0.53) TRIM24TYRTRIM33ERN1HPGDS
SCHEMBL3210785 0.67 KDM4E (0.68) TRIM24TYRTRIM33ERN1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed