SCHEMBL6313293

SCHEMBL6313293

Cc1ccc2nc(-c3ccccc3C)n(CCCN)c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.52
EGFR P00533 1/20 0.43
GHSR Q92847 1/20 0.43
DHFR P00374 1/20 0.42
PGR P06401 1/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
RXRA P19793 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6307536 0.89 CASR (0.52) CASREGFRPGRRORARORC
SCHEMBL6313246 0.89 CASR (0.58) CASREGFRGHSR
SCHEMBL6306196 0.88 CASR (0.53) CASRRXRATDP1
SCHEMBL6307779 0.87 EGFR (0.57) CASREGFRPOLB
SCHEMBL6307828 0.87 F11 (0.52) GHSRRXRATDP1
SCHEMBL6394256 0.85 EGFR (0.55) CASREGFRGHSRPOLB
SCHEMBL6308112 0.83 KMT2A (0.50) CASREGFRGHSRPOLB
SCHEMBL6306926 0.83 MEN1 (0.50) CASREGFRPOLB
SCHEMBL6308902 0.82 EGFR (0.64) CASREGFR
SCHEMBL6307036 0.82 GHSR (0.55) EGFRGHSRPOLB

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