SCHEMBL13622950

SCHEMBL13622950

CC1(c2cccc(F)c2)CCCN1c1ccc2ncc(-c3ccc(N)cc3)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.45
NTRK3 Q16288 9/20 0.45
NTRK2 Q16620 9/20 0.45
FYN P06241 8/20 0.42
JAK2 O60674 2/20 0.39
INSR P06213 2/20 0.39
LYN P07948 2/20 0.39
RET P07949 2/20 0.39
MET P08581 2/20 0.39
ROS1 P08922 2/20 0.39
FGR P09769 2/20 0.39
KIT P10721 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
TIE1 P35590 2/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
ALK Q9UM73 2/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL1430849 0.88 NTRK1 (0.59) NTRK1NTRK3NTRK2FYNJAK2
SCHEMBL13622991 0.73 NTRK1 (0.79) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL13623584 0.73 NTRK1 (0.79) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL13623593 0.72 NTRK1 (0.79) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL13623601 0.72 NTRK1 (0.79) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL13623596 0.72 NTRK1 (0.79) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL2238233 0.68 NTRK1 (0.64) NTRK1JAK2
SCHEMBL13622993 0.67 NTRK1 (0.66) NTRK1
SCHEMBL13622994 0.67 NTRK1 (0.66) NTRK1
SCHEMBL13622962 0.65 NTRK1 (0.75) NTRK1NTRK3NTRK2FYNJAK2

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-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO disclosed