SCHEMBL19488306

SCHEMBL19488306

CCCNCc1nc2ccc(-c3ccc(CCc4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
AAK1 Q2M2I8 6/20 0.37
MPL P40238 2/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CACNA1B Q00975 1/20 0.31
ROCK2 O75116 1/20 0.31
MELK Q14680 1/20 0.31
RET P07949 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
LMNA P02545 1/20 0.30
TUBB4A P04350 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) SCN10AAAK1CACNA1BROCK2MELK
SCHEMBL19488473 0.85 SCN10A (0.39) SCN10AAAK1ROCK2MELK
SCHEMBL19488290 0.84 SCN10A (0.37) SCN10AAAK1CACNA1BROCK2MELK
SCHEMBL10200269 0.84 SCN10A (0.52) SCN10AAAK1MPLNPC1RAB9A
SCHEMBL19488471 0.82 SCN10A (0.40) SCN10AAAK1
SCHEMBL19488498 0.79 SCN10A (0.42) SCN10AAAK1CSNK2A2CSNK2BCSNK2A1
SCHEMBL19488583 0.79 SCN10A (0.39) SCN10AAAK1CSNK2A2CSNK2BCSNK2A1
SCHEMBL19488295 0.78 AAK1 (0.37) SCN10AAAK1
SCHEMBL19488293 0.78 AAK1 (0.37) SCN10AAAK1
SCHEMBL19488296 0.78 SCN10A (0.43) SCN10AAAK1CSNK2A2CSNK2BCSNK2A1

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