SCHEMBL20054526

SCHEMBL20054526

CC(C)(C)C(N)c1ncc(-c2ccc(-c3ccc4nc(C(N)C(C)(C)C)[nH]c4c3)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.48
SCN10A Q9Y5Y9 8/20 0.44

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
SCHEMBL19388627 1.00 AAK1 (0.48) AAK1SCN10A
SCHEMBL15116605 1.00 AAK1 (0.48) AAK1SCN10A
SCHEMBL15116788 1.00 AAK1 (0.48) AAK1SCN10A
SCHEMBL19388320 1.00 AAK1 (0.48) AAK1SCN10A
SCHEMBL15125223 0.94 AAK1 (0.47) AAK1SCN10A
SCHEMBL15125246 0.93 AAK1 (0.45) AAK1SCN10A
SCHEMBL15116784 0.93 AAK1 (0.47) AAK1SCN10A
SCHEMBL20054422 0.93 AAK1 (0.47) AAK1SCN10A
SCHEMBL19388554 0.93 AAK1 (0.47) AAK1SCN10A
SCHEMBL15116794 0.88 AAK1 (0.57) AAK1SCN10A

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