SCHEMBL19488498

SCHEMBL19488498

CCCNCc1nc2ccc(-c3ccc(-c4ccc5c(ccc6[nH]c([C@@H]7CCCN7)nc65)c4)cc3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.42
AAK1 Q2M2I8 4/20 0.37
PARP1 P09874 5/20 0.35
CDC7 O00311 4/20 0.31
PIM1 P11309 4/20 0.31
CSNK2B P67870 4/20 0.31
CSNK2A1 P68400 4/20 0.31
CIT O14578 1/20 0.31
CYP1A2 P05177 1/20 0.31
CSNK2A2 P19784 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31
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
SCHEMBL19488296 0.99 SCN10A (0.43) SCN10AAAK1PARP1CDC7PIM1
SCHEMBL10202371 0.85 SCN10A (0.54) SCN10AAAK1PARP1CDC7PIM1
SCHEMBL10202375 0.84 SCN10A (0.55) SCN10AAAK1PARP1CDC7PIM1
SCHEMBL19488471 0.81 SCN10A (0.40) SCN10AAAK1PARP1
SCHEMBL19488554 0.81 SCN10A (0.40) SCN10AAAK1
SCHEMBL10182683 0.80 PARP1 (0.50) SCN10APARP1CDC7PIM1CSNK2B
SCHEMBL19488306 0.79 SCN10A (0.39) SCN10AAAK1CSNK2BCSNK2A1CSNK2A2
SCHEMBL19488771 0.79 SCN10A (0.41) SCN10AAAK1
SCHEMBL19488583 0.78 SCN10A (0.39) SCN10AAAK1PARP1CSNK2BCSNK2A1
SCHEMBL19488592 0.78 SCN10A (0.41) SCN10A

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