SCHEMBL20182268

SCHEMBL20182268

CCC(/C(C=N)=C/Nc1ccc(F)cc1F)n1c(C#N)c(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 15/20 0.42
RIPK1 Q13546 1/20 0.34
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
NEK7 Q8TDX7 2/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL20181896 0.90 CFTR (0.42) CFTRRIPK1NTRK1NTRK3NTRK2
SCHEMBL20182263 0.82 CFTR (0.40) CFTRRIPK1
SCHEMBL20182356 0.80 CFTR (0.39) CFTRRIPK1NTRK1NTRK3NTRK2
SCHEMBL20182269 0.80 CFTR (0.38) CFTRRIPK1FLT3
SCHEMBL20182220 0.76 CFTR (0.39) CFTRNEK7
SCHEMBL20162600 0.75 CFTR (0.59) CFTR
SCHEMBL30037928 0.75 CFTR (0.59) CFTR
SCHEMBL30038190 0.75 CFTR (0.59) CFTR
SCHEMBL20182294 0.75 CFTR (0.40) CFTRRIPK1NTRK1NTRK3NTRK2
SCHEMBL30036908 0.75 CFTR (0.59) 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