SCHEMBL19488583

SCHEMBL19488583

CCCNCc1nc2ccc(-c3cccc(-c4c[nH]c([C@@H]5CCCN5)n4)c3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
AAK1 Q2M2I8 3/20 0.36
ABL1 P00519 5/20 0.33
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
USP30 Q70CQ3 2/20 0.31
PARP1 P09874 2/20 0.31
MCHR1 Q99705 2/20 0.31
LMNA P02545 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL19488471 0.95 SCN10A (0.40) SCN10AAAK1ABL1HRH4HRH3
SCHEMBL19488473 0.85 SCN10A (0.39) SCN10AAAK1ABL1HRH4HRH3
SCHEMBL10202369 0.82 SCN10A (0.54) SCN10AAAK1USP30PARP1
SCHEMBL19488554 0.81 SCN10A (0.40) SCN10AAAK1HRH4HRH3
SCHEMBL13087366 0.80 SCN10A (0.31) SCN10A
SCHEMBL19488296 0.79 SCN10A (0.43) SCN10AAAK1PARP1CSNK2A2CSNK2B
SCHEMBL19488306 0.79 SCN10A (0.39) SCN10AAAK1LMNACSNK2A2CSNK2B
SCHEMBL19488498 0.78 SCN10A (0.42) SCN10AAAK1USP30PARP1CSNK2A2
SCHEMBL19488291 0.77 SCN10A (0.41) SCN10AAAK1
SCHEMBL19488771 0.77 SCN10A (0.41) SCN10AAAK1

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