SCHEMBL16447983

SCHEMBL16447983

CC1(C)Cc2c(sc(Nc3ccccc3-c3ncn[nH]3)c2C(N)=O)C(C)(C)O1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.62

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
SCHEMBL16445582 0.86 CFTR (0.70) CFTR
SCHEMBL16447909 0.86 CFTR (0.54) CFTR
SCHEMBL20453820 0.80 CFTR (0.71) CFTR
SCHEMBL20454369 0.77 CFTR (0.58) CFTR
SCHEMBL20454358 0.77 CFTR (0.76) CFTR
SCHEMBL20453064 0.77 CFTR (0.61) CFTR
SCHEMBL16445463 0.72 CFTR (0.68) CFTR
SCHEMBL20454466 0.72 CFTR (0.54) CFTR
SCHEMBL20454237 0.71 CFTR (0.58) CFTR
SCHEMBL16444982 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030568-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos NV (BE) 2016-06-15 — — EP claimed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO claimed
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