SCHEMBL30280478

SCHEMBL30280478

CCC(c1cn(-c2ccccc2F)nn1)n1nc(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 1.00
PIK3CD O00329 2/20 0.43

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
SCHEMBL20263159 1.00 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263246 1.00 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263160 1.00 CFTR (1.00) CFTRPIK3CD
SCHEMBL30280460 1.00 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263171 0.91 CFTR (0.84) CFTRPIK3CD
SCHEMBL30280506 0.91 CFTR (0.84) CFTRPIK3CD
SCHEMBL20263183 0.90 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263192 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL30280600 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263190 0.87 CFTR (1.00) CFTRPIK3CD

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
CN-110300589-B Bicyclic heteroaryl derivatives as CFTR potentiators 囊性纤维化基金会 2023-03-10 CN disclosed