SCHEMBL22791122

SCHEMBL22791122

CC(C)(N)CNC(=O)c1nc(-c2ccc(F)cc2)c(C(F)(F)F)cc1N

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.84

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
SCHEMBL2372442 0.91 CFTR (1.00) CFTR
SCHEMBL2371818 0.89 CFTR (1.00) CFTR
SCHEMBL2371942 0.89 CFTR (1.00) CFTR
SCHEMBL2372490 0.89 CFTR (1.00) CFTR
SCHEMBL14783071 0.79 CFTR (0.65) CFTR
SCHEMBL2372582 0.79 CFTR (0.81) CFTR
SCHEMBL2371580 0.79 CFTR (0.64) CFTR
SCHEMBL22791468 0.78 CFTR (0.82) CFTR
SCHEMBL2372794 0.77 CFTR (0.62) CFTR
SCHEMBL22791295 0.76 CFTR (0.82) CFTR

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
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed