SCHEMBL29699424

SCHEMBL29699424

COC(=O)c1nc(-c2ccc(C)nc2)c(C(F)(F)F)cc1N

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 13/20 0.67
PIK3CA P42336 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL2372141 1.00 CFTR (0.67) CFTRPIK3CAPDE3BPDE3AIRAK4
SCHEMBL2371893 0.87 CFTR (0.67) CFTRPIK3CAPDE3BPDE3A
SCHEMBL14783071 0.83 CFTR (0.65) CFTR
SCHEMBL2372266 0.80 CFTR (1.00) CFTR
SCHEMBL22791295 0.80 CFTR (0.82) CFTR
SCHEMBL29699240 0.80 CFTR (1.00) CFTR
SCHEMBL2371662 0.79 CFTR (1.00) CFTR
SCHEMBL22791468 0.79 CFTR (0.82) CFTR
SCHEMBL29699293 0.79 CFTR (1.00) CFTR
SCHEMBL14783118 0.77 CFTR (0.51) CFTRPIK3CAPDGFRBKDR

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