SCHEMBL19488293

SCHEMBL19488293

C#CCCNCc1nc2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6)[nH]5)cc4)cc3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL19488554 0.89 SCN10A (0.40) AAK1SCN10A
SCHEMBL19488473 0.83 SCN10A (0.39) AAK1SCN10AUSP30
SCHEMBL10176719 0.79 SCN10A (0.56) AAK1SCN10AUSP30
SCHEMBL13192596 0.79 SCN10A (0.56) AAK1SCN10AUSP30
SCHEMBL10202379 0.79 SCN10A (0.56) AAK1SCN10AUSP30
SCHEMBL13192605 0.79 SCN10A (0.56) AAK1SCN10AUSP30
SCHEMBL19488306 0.78 SCN10A (0.39) AAK1SCN10A
SCHEMBL19488295 0.78 AAK1 (0.37) AAK1SCN10AUSP30
SCHEMBL19488290 0.78 SCN10A (0.37) AAK1SCN10A
SCHEMBL1294078 0.77 SCN10A (0.53) AAK1SCN10AUSP30

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed