SCHEMBL20182347

SCHEMBL20182347

Cc1cn(C/C(C=N)=C/Nc2ccccc2F)c2ncnc(N)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
SRC P12931 5/20 0.36
LCK P06239 2/20 0.36
TEK Q02763 2/20 0.36
KDR P35968 1/20 0.34
EIF2AK3 Q9NZJ5 2/20 0.33
EGFR P00533 2/20 0.33
CDK1 P06493 1/20 0.33
ADK P55263 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CFD P00746 2/20 0.32
BTK Q06187 1/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL20182236 0.78 KDR (0.36) LRRK2SRCLCKTEKKDR
SCHEMBL20182248 0.73 LRRK2 (0.34) LRRK2SRCLCKTEKKDR
SCHEMBL20279326 0.70 RIPK1 (0.32)
SCHEMBL20181911 0.69 EIF2AK3 (0.37) SRCLCKTEKEIF2AK3
SCHEMBL20173329 0.69 EIF2AK3 (0.38) SRCLCKTEKEIF2AK3
SCHEMBL17406879 0.69 KDM4E (0.59) SRCLCKTEKEGFRCDK1
SCHEMBL20182264 0.68 SRC (0.35) LRRK2SRCLCKTEKEIF2AK3
SCHEMBL23283623 0.68 PSIP1 (0.40) KDM4E
SCHEMBL20182196 0.68 EIF2AK3 (0.37) SRCLCKTEKEIF2AK3FLT3
SCHEMBL23885181 0.67 ADK (0.43) SRCLCKTEKKDREGFR

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