SCHEMBL20182263

SCHEMBL20182263

CCC(/C(=C/Nc1ccccc1F)N=N)n1c(C#N)c(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.40
LRRK2 Q5S007 1/20 0.33
RIPK1 Q13546 1/20 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
SCHEMBL20182269 0.94 CFTR (0.38) CFTRLRRK2RIPK1
SCHEMBL20181896 0.93 CFTR (0.42) CFTRRIPK1
SCHEMBL20182220 0.91 CFTR (0.39) CFTRLRRK2
SCHEMBL20182354 0.91 CFTR (0.41) CFTRLRRK2RIPK1
SCHEMBL20182353 0.86 KDR (0.32) LRRK2
SCHEMBL20182355 0.85 CFTR (0.38) CFTRLRRK2RIPK1
SCHEMBL20182197 0.84 CFTR (0.43) CFTR
SCHEMBL20182356 0.83 CFTR (0.39) CFTRRIPK1
SCHEMBL20182280 0.83 CFTR (0.38) CFTRLRRK2RIPK1
SCHEMBL20182268 0.82 CFTR (0.42) CFTRRIPK1

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