SCHEMBL4721371

SCHEMBL4721371

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(NCC(=O)O)ccc3S(C)(=O)=O)c(=O)c3ncccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.33
NAMPT P43490 3/20 0.33
IMPDH2 P12268 2/20 0.32
CCR9 P51686 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4721609 0.93 PTK2 (0.33) PTK2NAMPTIMPDH2CCR9
SCHEMBL14102007 0.93 IMPDH2 (0.33) PTK2NAMPTIMPDH2CCR9
SCHEMBL4722289 0.89 IMPDH2 (0.36) PTK2NAMPTIMPDH2CCR9ALDH1A1
SCHEMBL4721114 0.89 NAMPT (0.31) PTK2NAMPTIMPDH2
SCHEMBL4719259 0.84 L3MBTL1 (0.33) IMPDH2CCR9JAK2JAK1TYK2
SCHEMBL4720352 0.83 NAMPT (0.30) NAMPT
SCHEMBL4720681 0.81 JAK2 (0.32) JAK2JAK1TYK2
SCHEMBL4720565 0.81 ENPP2 (0.37)
SCHEMBL4722506 0.80 RIOK2 (0.34)
SCHEMBL4724113 0.80 MAPT (0.37) PTK2NAMPTIMPDH2ALDH1A1

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