SCHEMBL29699202

SCHEMBL29699202

CC(O)(CNC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 16/20 0.69
ACVR1 Q04771 4/20 0.50

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
SCHEMBL2372434 1.00 CFTR (0.69) CFTRACVR1
SCHEMBL2372606 0.82 CFTR (1.00) CFTR
SCHEMBL2371649 0.82 CFTR (1.00) CFTR
SCHEMBL2372600 0.82 CFTR (1.00) CFTR
SCHEMBL14784661 0.77 P2RX7 (0.40) CFTR
SCHEMBL22791161 0.75 CFTR (0.43) CFTRACVR1
SCHEMBL2373060 0.73 CFTR (0.80) CFTR
SCHEMBL2372326 0.72 CFTR (1.00) CFTR
SCHEMBL2372386 0.72 CFTR (1.00) CFTR
SCHEMBL2371672 0.72 CFTR (1.00) 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