SCHEMBL20182190

SCHEMBL20182190

COc1ncncc1-c1cn(C/C(=C/Nc2ccccc2F)N=N)c2nc(C)nc(N)c12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.35

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
SCHEMBL20181911 0.80 EIF2AK3 (0.37)
SCHEMBL20182196 0.80 EIF2AK3 (0.37)
SCHEMBL20173329 0.80 EIF2AK3 (0.38)
SCHEMBL20181916 0.74 CFTR (0.39) CFTR
SCHEMBL20162810 0.73 CFTR (0.49) CFTR
SCHEMBL20182264 0.72 SRC (0.35)
SCHEMBL20181906 0.72 EIF2AK3 (0.34) CFTR
SCHEMBL20162988 0.67 CFTR (0.57) CFTR
SCHEMBL30538073 0.67 CFTR (0.57) CFTR
SCHEMBL20182265 0.67 NTRK1 (0.36) 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-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed