SCHEMBL8891648

SCHEMBL8891648

COCc1cc(CS(=O)(=O)C(C)C)ccc1Nc1nc(Nc2ccccc2)c2cccc(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.41
SLC2A1 P11166 1/20 0.40
EGFR P00533 3/20 0.35
BTK Q06187 3/20 0.35
JAK3 P52333 1/20 0.35
ALK Q9UM73 3/20 0.35
CTNNB1 P35222 3/20 0.35
TCF7L2 Q9NQB0 3/20 0.35
CFD P00746 1/20 0.35
INSR P06213 1/20 0.34
NPM1 P06748 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
SCHEMBL8889431 0.76 EGFR (0.43) NPY5REGFRCTNNB1TCF7L2
SCHEMBL8891393 0.76 SLC2A1 (0.45) NPY5RSLC2A1
Hydrochloric Acid SCHEMBL8890271 0.75 SLC2A1 (0.47) NPY5RSLC2A1
SCHEMBL8891387 0.74 NPY5R (0.69) NPY5RSLC2A1
Hydrochloric Acid SCHEMBL8890265 0.73 NPY5R (0.67) NPY5RSLC2A1
SCHEMBL8899707 0.71 NPY5R (0.58) NPY5RSLC2A1CTNNB1TCF7L2
Hydrochloric Acid SCHEMBL8891262 0.70 NPY5R (0.57) NPY5RSLC2A1CTNNB1TCF7L2
SCHEMBL8891585 0.70 NPY5R (0.77) NPY5RSLC2A1EGFRCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL8890940 0.69 NPY5R (0.75) NPY5RSLC2A1EGFRCTNNB1TCF7L2
SCHEMBL8890917 0.69 NPY5R (0.65) NPY5RSLC2A1

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed