SCHEMBL8907203

SCHEMBL8907203

CCN(CC)CCCNc1nc(Cl)nc2c(OC)cccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.50
SLC2A1 P11166 1/20 0.49
TOP2A P11388 1/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
NQO1 P15559 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
APP P05067 1/20 0.43
KMT5A Q9NQR1 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
SCHEMBL8908237 0.93 KDM4E (0.46) FLT3SLC2A1TOP2APOLBKDM4E
Hydrochloric Acid SCHEMBL8908423 0.92 KDM4E (0.45) FLT3SLC2A1TOP2APOLBKDM4E
SCHEMBL8899957 0.83 APP (0.46) FLT3TOP2APOLBGAAKDM4E
SCHEMBL8906085 0.78 SLC2A1 (0.71) FLT3SLC2A1TOP2APOLBGAA
Hydrochloric Acid SCHEMBL8891454 0.77 POLB (0.72) FLT3SLC2A1TOP2APOLBGAA
SCHEMBL8900938 0.77 SLC2A1 (0.44) FLT3SLC2A1TOP2APOLBGAA
SCHEMBL2585006 0.75 PDE5A (0.60) SLC2A1APP
SCHEMBL8900924 0.73 VCP (0.46) FLT3SLC2A1TOP2A
SCHEMBL8907435 0.73 SLC2A1 (0.44) FLT3SLC2A1TOP2APOLBGAA
SCHEMBL19003558 0.72 KDM4E (0.48) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed