SCHEMBL6307692

SCHEMBL6307692

NCCCn1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.69
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 5/20 0.54
TP53 P04637 1/20 0.53
GHSR Q92847 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASR P41180 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 3/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6306955 0.98 EGFR (0.72) EGFRKDM4ELMNAHTTL3MBTL1
SCHEMBL6314802 0.92 EGFR (0.83) EGFRLMNAMAPTTP53ALDH1A1
SCHEMBL6308412 0.91 EGFR (0.63) EGFRKDM4ELMNAHTTL3MBTL1
SCHEMBL6314793 0.91 MEN1 (0.61) EGFRKDM4ELMNAHTTL3MBTL1
SCHEMBL6314165 0.90 GHSR (0.61) EGFRKDM4ELMNAHTTL3MBTL1
SCHEMBL6314890 0.89 EGFR (0.86) EGFRLMNAMAPTTP53ALDH1A1
SCHEMBL6306178 0.89 EGFR (0.60) EGFRKDM4ELMNAHTTL3MBTL1
SCHEMBL6394256 0.87 EGFR (0.55) EGFRKDM4ELMNAMAPTTP53
SCHEMBL6314229 0.87 EGFR (0.55) EGFRKDM4ELMNAHTTL3MBTL1
SCHEMBL6308080 0.87 F11 (0.57) EGFRKDM4ELMNAMAPTTP53

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