SCHEMBL6314294

SCHEMBL6314294

COc1cc(-c2nc3cc(Cl)ccc3c(=O)n2CCCN)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.59
ABCC1 P33527 2/20 0.51
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 3/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6308920 0.92 EGFR (0.51) EGFRABCC1POLBSMN1; SMN2LMNA
SCHEMBL6308357 0.90 EGFR (0.59) EGFRABCC1POLBSMN1; SMN2MEN1
SCHEMBL6314616 0.86 SMN1; SMN2 (0.67) ABCC1POLBSMN1; SMN2LMNAMEN1
SCHEMBL6313852 0.85 EGFR (0.64) EGFRABCC1POLBSMN1; SMN2LMNA
SCHEMBL7550360 0.85 EGFR (0.53) EGFRABCC1POLBSMN1; SMN2LMNA
SCHEMBL6309009 0.83 SMN1; SMN2 (0.51) ABCC1POLBSMN1; SMN2LMNAMAPT
SCHEMBL6314671 0.83 EGFR (0.61) EGFRABCC1POLBTP53MAPT
SCHEMBL6308934 0.83 EGFR (0.64) EGFRABCC1POLBTP53MAPT
SCHEMBL6308755 0.83 EGFR (0.56) EGFRABCC1POLBMEN1KMT2A
SCHEMBL6315683 0.83 EGFR (0.69) EGFRPOLBMEN1KMT2ATP53

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