SCHEMBL17827117

SCHEMBL17827117

Cc1ccc([SH](C)(=O)n2ccc3nc(CNC(=O)C45CCC(NC(=O)OC(C)(C)C)(CC4)CC5)cnc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.31
CYP3A4 P08684 2/20 0.31
SCN10A Q9Y5Y9 3/20 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
SCHEMBL4351093 0.82 NAMPT (0.36)
SCHEMBL4347399 0.71 L3MBTL1 (0.37)
SCHEMBL18855919 0.68
SCHEMBL29408993 0.68 HSD11B1 (0.42) SCN9A
SCHEMBL1536149 0.68 L3MBTL1 (0.34)
SCHEMBL12389611 0.67 CA12 (0.42)
SCHEMBL4350834 0.65 L3MBTL1 (0.34)
SCHEMBL4351088 0.65 L3MBTL1 (0.34)
SCHEMBL19033759 0.60 CYP2C19 (0.54) CYP3A4
SCHEMBL19188365 0.58 MEN1 (0.38)

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-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed