SCHEMBL4969157

SCHEMBL4969157

Nc1ccc(C(F)(F)C(F)(F)F)c(OCCC2CCCN2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.36
MKNK1 Q9BUB5 3/20 0.34
NFE2L2 Q16236 1/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHEK1 O14757 1/20 0.34
SSTR2 P30874 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL5261782 0.91 PRKCZ (0.37) PRKCZMKNK1NFE2L2CHRNB4CHRNA3
SCHEMBL5260910 0.87 LTA4H (0.41) NFE2L2SSTR2LTA4H
SCHEMBL5262749 0.82 SSTR2 (0.39) NFE2L2SSTR2
SCHEMBL4705249 0.79 SLC6A2 (0.39) PRKCZMKNK1CHRNB4CHRNA3
SCHEMBL5260158 0.78 CHRNB4 (0.48) PRKCZCHRNB4CHRNA3LTA4H
SCHEMBL7006966 0.78 CHRNB4 (0.55) PRKCZCHRNB4CHRNA3CHEK1SSTR2
SCHEMBL2172629 0.78 CHRNB4 (0.51) PRKCZCHRNB4CHRNA3CHEK1SSTR2
SCHEMBL5239690 0.77 SSTR2 (0.41) PRKCZMKNK1CHRNB4CHRNA3SSTR2
SCHEMBL12491869 0.77 CHRNB4 (0.39) PRKCZMKNK1CHRNB4CHRNA3CHEK1
SCHEMBL6645965 0.75 CHRNB4 (0.44) PRKCZMKNK1CHRNB4CHRNA3CHEK1

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-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed