SCHEMBL469835

SCHEMBL469835

O=C(CCO)Nc1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.70
NTRK2 Q16620 5/20 0.60
NTRK3 Q16288 4/20 0.60
JAK2 O60674 2/20 0.60
INSR P06213 2/20 0.60
LYN P07948 2/20 0.60
RET P07949 2/20 0.60
MET P08581 2/20 0.60
ROS1 P08922 2/20 0.60
FGR P09769 2/20 0.60
KIT P10721 2/20 0.60
FGFR4 P22455 2/20 0.60
FGFR3 P22607 2/20 0.60
TIE1 P35590 2/20 0.60
KDR P35968 2/20 0.60
FLT3 P36888 2/20 0.60
ALK Q9UM73 2/20 0.60
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
CSF1R P07333 1/20 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
SCHEMBL469772 0.91 NTRK1 (0.71) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431944 0.91 NTRK1 (0.71) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL432900 0.90 NTRK1 (0.66) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL448040 0.89 NTRK1 (0.75) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL433420 0.88 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL433431 0.88 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL464679 0.88 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL469765 0.88 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL460464 0.88 NTRK1 (0.74) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL460465 0.88 NTRK1 (0.74) NTRK1NTRK2NTRK3JAK2INSR

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