SCHEMBL6308236

SCHEMBL6308236

COc1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)n(CCCN)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 4/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
HASPIN Q8TF76 1/20 0.43
DYRK2 Q92630 1/20 0.43

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
SCHEMBL6309009 0.91 SMN1; SMN2 (0.51) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL6308495 0.90 F11 (0.59) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL6308920 0.89 EGFR (0.51) F11SMN1; SMN2LMNAMAPTPOLB
SCHEMBL6307014 0.88 F11 (0.67) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL6314616 0.87 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL6306921 0.87 F11 (0.63) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL7549056 0.87 F11 (0.59) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL6308394 0.86 F11 (0.65) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL6306810 0.86 F11 (0.62) F11SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL6308567 0.85 F11 (0.64) F11SMN1; SMN2LMNARXFP1ALDH1A1

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
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed