SCHEMBL6306178

SCHEMBL6306178

Cc1cccc(-c2nc3ccc(Cl)cc3c(=O)n2CCCN)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
GHSR Q92847 1/20 0.53
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CASR P41180 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
DPP4 P27487 2/20 0.46
MAPT P10636 3/20 0.45
CHEK1 O14757 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6308412 0.93 EGFR (0.63) EGFRGHSRKDM4ELMNAHTT
SCHEMBL6313940 0.92 EGFR (0.56) EGFRGHSRKDM4ELMNAHTT
SCHEMBL6308088 0.91 EGFR (0.70) EGFRGHSRKDM4ELMNAHTT
SCHEMBL6306955 0.91 EGFR (0.72) EGFRGHSRKDM4ELMNAHTT
SCHEMBL6308112 0.91 KMT2A (0.50) EGFRGHSRPOLBRXFP1CASR
SCHEMBL6314793 0.89 MEN1 (0.61) EGFRGHSRKDM4ELMNAHTT
SCHEMBL6307692 0.89 EGFR (0.69) EGFRGHSRKDM4ELMNAHTT
SCHEMBL6309340 0.89 POLB (0.56) EGFRGHSRPOLBRXFP1
SCHEMBL6306167 0.86 KMT2A (0.63) EGFRLMNAPOLBRXFP1CASR
SCHEMBL6314165 0.86 GHSR (0.61) EGFRGHSRKDM4ELMNAHTT

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