SCHEMBL4591950

SCHEMBL4591950

Cc1cc(-n2ccccc2=O)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.46
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SYK P43405 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
KLKB1 P03952 2/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL6522040 0.88 F10 (0.43) F10SYKKLKB1MAPK1
SCHEMBL1030894 0.82 F10 (0.47) F10SYKKLKB1
Hydrochloric Acid SCHEMBL4999282 0.81 F10 (0.47) F10SYKKLKB1
SCHEMBL13907449 0.79 KMT2A (0.53) F10MAPK1
SCHEMBL4495700 0.78 F10 (0.40) F10SYKMAPK1
SCHEMBL1029269 0.78 THRB (0.44) F10KLKB1
SCHEMBL4238560 0.77 F10 (0.58) F10
Trifluoroacetic Acid SCHEMBL3448168 0.75 F10 (0.45) F10KLKB1MAPK1
SCHEMBL4056635 0.75 F10 (0.53) F10
SCHEMBL8307362 0.75 F10 (0.47) F10

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-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed