SCHEMBL5566573

SCHEMBL5566573

COc1ccc(C2=NN=C(N)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 2/20 0.43
DYRK1A Q13627 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL5567189 0.79 KDM4E (0.39) MAPK1ALDH1A1MAPTKDM4ENPC1
SCHEMBL20378978 0.74 MAPT (0.49) MAPK1ALDH1A1MAPTKDM4ENPC1
SCHEMBL8304973 0.70 KMT2A (0.42) TDP1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL6733562 0.67 CA1 (0.79) TDP1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL197522 0.67 CA1 (0.79) TDP1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL9151672 0.67 CA1 (0.79) TDP1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL1926936 0.66 TDP1 (0.84) TDP1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL28890215 0.65 CA1 (0.73) TDP1MAPK1ALDH1A1MAPTKDM4E
Iodide SCHEMBL28861996 0.65 CA1 (0.73) TDP1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL8097613 0.65 TDP1 (0.56) TDP1MAPK1ALDH1A1MAPTKDM4E

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-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US disclosed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed