SCHEMBL20182346

SCHEMBL20182346

COc1ncccc1-c1cn(C/C(C=N)=C/NCOCC[Si](C)(C)C)c2ncnc(N)c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.35
LCK P06239 3/20 0.34
TEK Q02763 1/20 0.34
EGFR P00533 4/20 0.33
EIF2AK3 Q9NZJ5 2/20 0.33
BTK Q06187 1/20 0.33
IGF1R P08069 1/20 0.33
FLT3 P36888 4/20 0.32
ABL1 P00519 3/20 0.32
ABL2 P42684 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 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
SCHEMBL20182213 0.84 SRC (0.42) SRCLCKTEKEGFREIF2AK3
SCHEMBL20163166 0.82 SRC (0.43) SRCLCKTEKEGFREIF2AK3
SCHEMBL20182344 0.82 DYRK3 (0.42) FLT3
SCHEMBL20162794 0.76 SRC (0.37) SRCLCKTEKEGFREIF2AK3
SCHEMBL20182244 0.73 ADK (0.35) FLT3
SCHEMBL20173329 0.71 EIF2AK3 (0.38) SRCLCKTEKEIF2AK3
SCHEMBL20162829 0.69 SRC (0.38) SRCLCKTEKEGFRFLT3
SCHEMBL20162919 0.68 SRC (0.42) SRCLCKTEKEGFREIF2AK3
SCHEMBL26106229 0.68 SRC (0.42) SRCLCKTEKEGFRBTK
SCHEMBL30582552 0.68 SRC (0.42) SRCLCKTEKEGFRBTK

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