SCHEMBL4720681

SCHEMBL4720681

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(-c4ccc(=O)[nH]c4)ccc3S(C)(=O)=O)c(=O)c3ncccc23)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.32
TYK2 P29597 3/20 0.32
JAK1 P23458 2/20 0.32

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
SCHEMBL4723705 0.87 TRPV1 (0.30)
SCHEMBL4722506 0.86 RIOK2 (0.34)
SCHEMBL4719259 0.86 L3MBTL1 (0.33) JAK2TYK2JAK1
SCHEMBL4722717 0.83 MAPT (0.42) JAK2TYK2JAK1
SCHEMBL4722289 0.83 IMPDH2 (0.36)
SCHEMBL4721138 0.81 JAK2 (0.34) JAK2TYK2JAK1
SCHEMBL4721053 0.81
SCHEMBL4722942 0.81 MEN1 (0.31) JAK2TYK2JAK1
SCHEMBL4721371 0.81 PTK2 (0.33) JAK2TYK2JAK1
SCHEMBL4724241 0.81 F10 (0.35) JAK2TYK2JAK1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed