SCHEMBL8901670

SCHEMBL8901670

COc1cccc2c(Nc3ccccc3)nc(NC3CCCCC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.65
MERTK Q12866 3/20 0.52
GALR2 O43603 1/20 0.51
GALR1 P47211 1/20 0.51
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49

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
Hydrochloric Acid SCHEMBL8892514 0.99 NPY5R (0.64) NPY5RMERTKGALR2GALR1AURKA
SCHEMBL8890639 0.91 MERTK (0.63) NPY5RMERTKGSK3AGSK3BCCR4
Hydrochloric Acid SCHEMBL8901180 0.90 MERTK (0.62) NPY5RMERTKGSK3AGSK3BCCR4
SCHEMBL8890906 0.82 NPY5R (0.75) NPY5R
SCHEMBL8890903 0.82 NPY5R (0.53) NPY5RMERTKPDGFRA
SCHEMBL8890913 0.82 NPY5R (0.53) NPY5RMERTKPDGFRA
SCHEMBL8890851 0.81 NPY5R (0.61) NPY5RMERTK
SCHEMBL8890847 0.81 NPY5R (0.61) NPY5RMERTK
SCHEMBL8890845 0.81 NPY5R (0.52) NPY5RMERTK
SCHEMBL8899277 0.80 NPY5R (1.00) NPY5RMERTK

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 claimed