SCHEMBL19388413

SCHEMBL19388413

CC(C)(C)C(N)c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H](N)C(C)(C)C)[nH]c5c4)cc3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.57
▸ SCN10A Q9Y5Y9 11/20 0.52

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
SCHEMBL15116794 1.00 AAK1 (0.57) AAK1SCN10A
SCHEMBL15125224 0.94 AAK1 (0.54) AAK1SCN10A
SCHEMBL20468458 0.89 AAK1 (0.52) AAK1SCN10A
SCHEMBL19388320 0.88 AAK1 (0.48) AAK1SCN10A
SCHEMBL19388627 0.88 AAK1 (0.48) AAK1SCN10A
SCHEMBL20054526 0.88 AAK1 (0.48) AAK1SCN10A
SCHEMBL15116788 0.88 AAK1 (0.48) AAK1SCN10A
SCHEMBL15116605 0.88 AAK1 (0.48) AAK1SCN10A
SCHEMBL18483092 0.86 AAK1 (0.50) AAK1SCN10A
SCHEMBL20468377 0.86 AAK1 (0.50) 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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
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