SCHEMBL6314628

SCHEMBL6314628

Cc1ccc2nc(C=Cc3ccc(N(C)C)cc3)n(CCCN)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
LMNA P02545 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.46
EGFR P00533 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
BLM P54132 2/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL6314623 1.00 MEN1 (0.58) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6309360 0.89 MEN1 (0.57) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6309356 0.89 MEN1 (0.57) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6315896 0.89 MEN1 (0.58) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6315900 0.89 MEN1 (0.58) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6306740 0.87 MEN1 (0.56) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6306737 0.87 MEN1 (0.56) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6308089 0.87 MEN1 (0.77) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6308082 0.87 MEN1 (0.77) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6309335 0.83 MEN1 (0.57) MEN1KMT2ALMNAKDM4ESMN1; SMN2

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