Sugi Predict

Sugi Predict / Compounds / SCHEMBL20054558

SCHEMBL20054558

SCHEMBL20054558

CC(C)(C)OC(=O)NC(c1nc2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]4)cc3)cc2[nH]1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.55
▸ SSTR3 P32745 1/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MLKL Q8NB16 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL15116865 1.00 AAK1 (0.55) AAK1SSTR3SCN10ATRPV1MAP4K4
SCHEMBL15116803 1.00 AAK1 (0.55) AAK1SSTR3SCN10ATRPV1MAP4K4
SCHEMBL15116771 0.94 AAK1 (0.51) AAK1SSTR3SCN10ATRPV1MLKL
SCHEMBL20054460 0.94 AAK1 (0.51) AAK1SSTR3SCN10ATRPV1MLKL
SCHEMBL15125237 0.94 AAK1 (0.54) AAK1SSTR3SCN10ATRPV1MAP4K4
SCHEMBL15116826 0.91 AAK1 (0.64) AAK1SCN10ATRPV1MAP4K4MLKL
SCHEMBL20054545 0.91 AAK1 (0.64) AAK1SCN10ATRPV1MAP4K4MLKL
SCHEMBL15116595 0.90 AAK1 (0.45) AAK1SSTR3SCN10ATRPV1LCK
SCHEMBL20221495 0.90 AAK1 (0.45) AAK1SSTR3SCN10ATRPV1LCK
SCHEMBL19414754 0.87 SSTR3 (0.46) AAK1SSTR3SCN9A

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed