SCHEMBL20054529

SCHEMBL20054529

NCc1ncc(-c2ccc(-c3ccc4nc(CN)[nH]c4c3)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.46
CACNA1B Q00975 2/20 0.41
CACNA1H O95180 1/20 0.41
RAD52 P43351 1/20 0.40
UBE2N P61088 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 2/20 0.38
PRKCZ Q05513 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL20054554 1.00 AAK1 (0.46) AAK1CACNA1BCACNA1HRAD52UBE2N
SCHEMBL20054430 0.92 AAK1 (0.41) AAK1CACNA1BCACNA1HRAD52UBE2N
SCHEMBL20054433 0.87 AAK1 (0.52) AAK1CACNA1HRAD52UBE2NIDO1
SCHEMBL20054434 0.86 SCN10A (0.38) AAK1CACNA1HRAD52UBE2NIDO1
SCHEMBL12648128 0.81 NLN (0.41) PDE10A
SCHEMBL20054383 0.81 PDE10A (0.37) PDE10A
SCHEMBL19414719 0.80 MAPT (0.46) AAK1RAD52UBE2NIDO1MAPT
SCHEMBL20054552 0.77 NLN (0.43) PDE10A
SCHEMBL20055263 0.76 USP7 (0.47) AAK1MAPTKDM4EPKMMEN1
SCHEMBL20055644 0.76 AAK1 (0.47) AAK1CACNA1BMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed