SCHEMBL20182196

SCHEMBL20182196

COc1ncc(F)cc1-c1cn(C/C(=C/Nc2ccccc2F)N=N)c2ncnc(N)c12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 11/20 0.37
SRC P12931 6/20 0.36
LCK P06239 2/20 0.33
TEK Q02763 1/20 0.33
FLT3 P36888 2/20 0.33
IGF1R P08069 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
SCHEMBL20173329 0.89 EIF2AK3 (0.38) EIF2AK3SRCLCKTEK
SCHEMBL20181911 0.86 EIF2AK3 (0.37) EIF2AK3SRCLCKTEK
SCHEMBL20182194 0.82 EIF2AK3 (0.36) EIF2AK3SRCLCKTEK
SCHEMBL20182190 0.80 CFTR (0.35)
SCHEMBL20182264 0.79 SRC (0.35) EIF2AK3SRCLCKTEKFLT3
SCHEMBL20182281 0.76 FLT3 (0.39) EIF2AK3SRCFLT3
SCHEMBL20182289 0.76 NTRK1 (0.36) EIF2AK3SRCTEKFLT3
SCHEMBL20182235 0.76 EIF2AK3 (0.34) EIF2AK3SRCTEKFLT3
SCHEMBL20181916 0.72 CFTR (0.39) EIF2AK3SRCLCKTEK
SCHEMBL30037231 0.72 CFTR (0.44) EIF2AK3SRCLCK

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