SCHEMBL6314229

SCHEMBL6314229

CC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3c(=O)n2CCCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
MAPT P10636 5/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 3/20 0.46
GHSR Q92847 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCC1 P33527 1/20 0.44
CHEK1 O14757 1/20 0.44
CASR P41180 1/20 0.44
F11 P03951 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
SCHEMBL6306215 0.92 EGFR (0.64) EGFRMAPTKMT2ATP53RXFP1
SCHEMBL6308923 0.89 MAPT (0.46) EGFRMAPTMEN1KMT2ATP53
SCHEMBL6314793 0.89 MEN1 (0.61) EGFRMAPTMEN1KMT2ATP53
SCHEMBL6307692 0.87 EGFR (0.69) EGFRMAPTMEN1KMT2ATP53
SCHEMBL6306955 0.87 EGFR (0.72) EGFRMAPTTP53RXFP1POLB
SCHEMBL6306796 0.85 F11 (0.61) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL6308080 0.85 F11 (0.57) EGFRMAPTMEN1KMT2ATP53
SCHEMBL6314754 0.84 MAPT (0.59) EGFRMAPTMEN1KMT2ATP53
SCHEMBL6306178 0.83 EGFR (0.60) EGFRMAPTMEN1KMT2ATP53
SCHEMBL6315037 0.82 POLB (0.54) EGFRMAPTMEN1KMT2ATP53

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