SCHEMBL4720918

SCHEMBL4720918

CCN(C(=O)O)c1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(Br)ccc2C(F)(F)F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.33
PTK2 Q05397 1/20 0.31
GAA P10253 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
SCHEMBL14102077 0.91 GPR119 (0.35) GPR119PTK2
SCHEMBL4719000 0.84 PTK2 (0.36) PTK2GAA
SCHEMBL14102074 0.79 BRD9 (0.34) GPR119PTK2
SCHEMBL4723056 0.76 LMNA (0.32) PTK2
SCHEMBL4722197 0.75 MEN1 (0.32) GAA
SCHEMBL4720065 0.74 POLB (0.31)
SCHEMBL4720181 0.74 NTRK1 (0.32)
SCHEMBL4722031 0.73 PTK2 (0.33) PTK2
SCHEMBL4721894 0.73 PTK2 (0.30) PTK2
SCHEMBL4721092 0.73 WNT3A (0.30)

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