SCHEMBL5654007

SCHEMBL5654007

Brc1ccc(OCc2cccnc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HSD17B10 Q99714 1/20 0.44
GABRA5 P31644 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.40
GRM2 Q14416 1/20 0.40
IKBKB O14920 1/20 0.40
LRRK2 Q5S007 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ELOVL1 Q9BW60 1/20 0.40

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
SCHEMBL29457401 0.83 GABRA5 (0.52) GABRA5PKM
SCHEMBL510168 0.83 GABRA5 (0.52) GABRA5PKM
SCHEMBL29987845 0.81 CHRNA7 (0.47) HTR1ADRD2MEN1KMT2AALDH1A1
SCHEMBL4234692 0.81 CHRNA7 (0.47) HTR1ADRD2MEN1KMT2AALDH1A1
SCHEMBL12016548 0.81 MEN1 (0.50) HTR1ADRD2HSD17B10MEN1KMT2A
SCHEMBL4060132 0.80 MAPK1 (0.56) HTR1ADRD2MEN1KMT2AALDH1A1
SCHEMBL31240666 0.79 HSD17B10 (0.46) HTR1ADRD2HSD17B10GABRA5MEN1
SCHEMBL31360482 0.78 CYP2D6 (0.53) HTR1ADRD2MEN1KMT2AALDH1A1
SCHEMBL12014977 0.77 FFAR1 (0.44) HTR1ADRD2MEN1KMT2AALDH1A1
SCHEMBL22792043 0.76 IKBKB (0.45) HTR1ADRD2HSD17B10MEN1KMT2A

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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US 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