SCHEMBL5650015

SCHEMBL5650015

Nc1ccc(OCc2cccc(F)c2F)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.43
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
ALKBH1 Q13686 1/20 0.39
KEAP1 Q14145 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 3/20 0.38
DHFR P00374 2/20 0.36
DCPS Q96C86 1/20 0.36
IDO1 P14902 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16792508 0.79 MEN1 (0.59) MEN1KMT2AKDM4EALOX5APFEN1
SCHEMBL5391050 0.78 MAOB (0.57) ALKBH1MAOBRAB9A
SCHEMBL29975453 0.76 GRM5 (0.48) ALKBH1ALDH1A1MAOBIDO1
SCHEMBL16792648 0.75 KMT2A (0.77) MEN1KMT2AKDM4EALOX5APFEN1
SCHEMBL5650346 0.75 IDO1 (0.49) MEN1KMT2AKDM4EMAOBIDO1
SCHEMBL5653373 0.74 ALOX5AP (0.39) ALOX5APFEN1ALKBH1ALDH1A1MAOB
SCHEMBL4415791 0.73 MAOB (0.63) MEN1KMT2AKDM4EMAOBIDO1
SCHEMBL4639016 0.72 MAOB (0.54) KDM4EALKBH1ALDH1A1MAOBDCPS
SCHEMBL9424821 0.72 KDM4E (0.46) MEN1KMT2AKDM4EALOX5APFEN1
SCHEMBL3365264 0.71 MEN1 (0.60) MEN1KMT2AKDM4EMAOBIDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed