SCHEMBL14547730

SCHEMBL14547730

O=c1[nH]c2ccc(Nc3nc(NCC(F)(F)F)c4cc[nH]c4n3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.62
SYK P43405 7/20 0.56
PAK4 O96013 4/20 0.56
JAK2 O60674 4/20 0.56
RET P07949 4/20 0.56
LTK P29376 4/20 0.56
MAPK8 P45983 4/20 0.56
MAP4K2 Q12851 4/20 0.56
ROCK1 Q13464 4/20 0.56
NTRK2 Q16620 4/20 0.56
AURKA O14965 4/20 0.56
PTK2 Q05397 4/20 0.56
DAPK3 O43293 3/20 0.56
CLK2 P49760 3/20 0.56
RPS6KA3 P51812 3/20 0.56
ALK Q9UM73 3/20 0.56
ABL1 P00519 3/20 0.56
LCK P06239 3/20 0.56
FYN P06241 3/20 0.56
TNK2 Q07912 3/20 0.56

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
SCHEMBL14547913 0.82 LRRK2 (0.57) LRRK2SYKPAK4JAK2RET
SCHEMBL14547958 0.80 LRRK2 (0.72) LRRK2SYKPAK4JAK2RET
SCHEMBL14547916 0.79 LRRK2 (0.59) LRRK2SYKPAK4JAK2RET
SCHEMBL14547935 0.79 LRRK2 (0.74) LRRK2SYKPAK4JAK2RET
SCHEMBL14547941 0.79 LRRK2 (0.59) LRRK2SYKPAK4JAK2RET
SCHEMBL14547919 0.79 LRRK2 (0.70) LRRK2SYKPAK4JAK2RET
SCHEMBL14547766 0.78 LRRK2 (0.58) LRRK2SYKPAK4JAK2RET
SCHEMBL14547956 0.78 LRRK2 (0.63) LRRK2SYKPAK4JAK2RET
SCHEMBL14547968 0.78 LRRK2 (0.66) LRRK2SYKPAK4JAK2RET
SCHEMBL14547949 0.78 LRRK2 (0.60) LRRK2SYKPAK4JAK2RET

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-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed