SCHEMBL23958867

SCHEMBL23958867

CC(C)(O)c1cc([C@H](CN)C(F)(F)F)nc(-c2ccc(I)cc2)c1F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32

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
SCHEMBL23958763 0.91 CFTR (0.40) CFTR
SCHEMBL23958626 0.91 CFTR (0.40) CFTR
SCHEMBL23958876 0.90 CFTR (0.33) CFTR
SCHEMBL23958688 0.89 CFTR (0.32) CFTR
SCHEMBL23958681 0.89 CFTR (0.32) CFTR
SCHEMBL23958682 0.88 XDH (0.34) CFTR
SCHEMBL23958714 0.84 CFTR (0.40) CFTR
SCHEMBL23958593 0.80 CFTR (0.39) CFTR
SCHEMBL23958780 0.78 AAK1 (0.32)
SCHEMBL26926330 0.76 CFTR (0.39) 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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed