SCHEMBL6306167

SCHEMBL6306167

Cc1cccc(-c2nc3ccccc3c(=O)n2CCCN)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
CASR P41180 2/20 0.57
F11 P03951 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 2/20 0.56
EGFR P00533 1/20 0.56
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6308112 0.90 KMT2A (0.50) KMT2ACASRF11SMN1; SMN2TSHR
SCHEMBL6309029 0.90 CASR (0.68) KMT2ACASRF11SMN1; SMN2TSHR
SCHEMBL6314797 0.88 EGFR (0.66) CASRF11SMN1; SMN2EGFRGAA
SCHEMBL6314431 0.88 MEN1 (0.67) KMT2ACASRF11GAAALDH1A1
SCHEMBL6309193 0.88 F11 (0.62) KMT2ACASRF11SMN1; SMN2TSHR
SCHEMBL6314002 0.87 CASR (0.65) KMT2ACASRF11SMN1; SMN2TSHR
SCHEMBL6307779 0.86 EGFR (0.57) KMT2ACASRSMN1; SMN2TSHREGFR
SCHEMBL6308088 0.86 EGFR (0.70) KMT2ACASRSMN1; SMN2EGFRALDH1A1
SCHEMBL6306178 0.86 EGFR (0.60) KMT2ACASRSMN1; SMN2EGFRALDH1A1
SCHEMBL6308188 0.85 GHSR (0.54) CASRF11EGFRGAAMAPT

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