SCHEMBL460465

SCHEMBL460465

[CH2]C(=O)Nc1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.74
NTRK3 Q16288 5/20 0.64
NTRK2 Q16620 5/20 0.64
JAK2 O60674 1/20 0.64
INSR P06213 1/20 0.64
LYN P07948 1/20 0.64
RET P07949 1/20 0.64
MET P08581 1/20 0.64
ROS1 P08922 1/20 0.64
FGR P09769 1/20 0.64
KIT P10721 1/20 0.64
FGFR4 P22455 1/20 0.64
FGFR3 P22607 1/20 0.64
TIE1 P35590 1/20 0.64
KDR P35968 1/20 0.64
FLT3 P36888 1/20 0.64
ALK Q9UM73 1/20 0.64

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
SCHEMBL460464 1.00 NTRK1 (0.74) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL448040 0.92 NTRK1 (0.75) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL431953 0.89 NTRK1 (0.72) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL464640 0.89 NTRK1 (0.72) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL469772 0.89 NTRK1 (0.71) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL431944 0.89 NTRK1 (0.71) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL469835 0.88 NTRK1 (0.70) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL464621 0.87 NTRK1 (0.69) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL433442 0.87 NTRK1 (0.69) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL464673 0.86 NTRK1 (0.68) NTRK1NTRK3NTRK2JAK2INSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed