SCHEMBL29699261

SCHEMBL29699261

COc1nc(C(=O)NCC(C)(N)C(F)(F)F)c(N)cc1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.80

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
SCHEMBL2373065 1.00 CFTR (0.80) CFTR
SCHEMBL12296162 0.93 CFTR (0.76) CFTR
SCHEMBL29699273 0.89 CFTR (0.80) CFTR
Icenticaftor SCHEMBL2372751 0.89 CFTR (1.00) CFTR
Icenticaftor SCHEMBL29365703 0.89 CFTR (1.00) CFTR
Icenticaftor SCHEMBL29368619 0.89 CFTR (1.00) CFTR
Icenticaftor SCHEMBL2371843 0.89 CFTR (1.00) CFTR
Icenticaftor SCHEMBL2371948 0.89 CFTR (1.00) CFTR
SCHEMBL2370794 0.87 CFTR (0.81) CFTR
SCHEMBL30784666 0.87 CFTR (0.81) 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
EP-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed