SCHEMBL4719259

SCHEMBL4719259

Cc1cc(-c2cnco2)cc(-c2nn(-c3ccccc3S(C)(=O)=O)c(=O)c3ncccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CCR9 P51686 1/20 0.31
IMPDH2 P12268 2/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 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
SCHEMBL4720525 0.87 CCR9 (0.33) JAK2JAK1TYK2CCR9
SCHEMBL4722289 0.86 IMPDH2 (0.36) CCR9IMPDH2
SCHEMBL4720681 0.86 JAK2 (0.32) JAK2JAK1TYK2
SCHEMBL4722506 0.86 RIOK2 (0.34)
SCHEMBL4721138 0.85 JAK2 (0.34) JAK2JAK1TYK2LMNAPKM
SCHEMBL4722717 0.85 MAPT (0.42) JAK2JAK1TYK2LMNA
SCHEMBL4719909 0.85 TRPV1 (0.35) L3MBTL1LMNAPKM
SCHEMBL4721371 0.84 PTK2 (0.33) JAK2JAK1TYK2CCR9IMPDH2
SCHEMBL4722942 0.84 MEN1 (0.31) JAK2JAK1TYK2LMNA
SCHEMBL4724241 0.84 F10 (0.35) JAK2JAK1TYK2

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