SCHEMBL12295752

SCHEMBL12295752

CC(=O)c1nc(Br)c(C(C)(F)F)cc1N

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 0.57
IKBKB O14920 1/20 0.36

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
SCHEMBL11978271 0.77 CFTR (0.44) CFTRIKBKB
SCHEMBL30259615 0.77 CFTR (0.44) CFTRIKBKB
SCHEMBL12295840 0.76 CFTR (0.87) CFTR
SCHEMBL18293452 0.75 CFTR (0.42) CFTRIKBKB
SCHEMBL2372904 0.74 CFTR (0.68) CFTR
SCHEMBL18289573 0.73 CFTR (0.47) CFTRIKBKB
SCHEMBL2373012 0.73 CFTR (0.70) CFTR
SCHEMBL29699252 0.73 CFTR (0.70) CFTR
SCHEMBL14789606 0.71 CFTR (0.60) CFTR
SCHEMBL14783594 0.71 CFTR (0.76) 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