SCHEMBL12295754

SCHEMBL12295754

COC(C)(CNC(=O)c1nc(Br)c(C(C)(C)F)cc1N)C(F)(I)I

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.61

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
SCHEMBL2372065 0.85 CFTR (0.74) CFTR
SCHEMBL2372659 0.76 CFTR (1.00) CFTR
SCHEMBL12295840 0.74 CFTR (0.87) CFTR
SCHEMBL2372326 0.74 CFTR (1.00) CFTR
SCHEMBL2371672 0.74 CFTR (1.00) CFTR
SCHEMBL2372386 0.74 CFTR (1.00) CFTR
SCHEMBL2382679 0.73 CFTR (0.74) CFTR
SCHEMBL2372058 0.71 CFTR (1.00) CFTR
SCHEMBL30784734 0.71 CFTR (0.71) CFTR
SCHEMBL2372223 0.71 CFTR (0.71) 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-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed