SCHEMBL2898694

SCHEMBL2898694

O=C(O)c1cnc2ccc(NCc3cccc(O)c3)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.54
FYN P06241 10/20 0.50
NTRK3 Q16288 5/20 0.50
NTRK2 Q16620 5/20 0.50
MKNK1 Q9BUB5 1/20 0.50
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
ROS1 P08922 1/20 0.47
PDGFRB P09619 1/20 0.47
FGR P09769 1/20 0.47
KIT P10721 1/20 0.47
SRC P12931 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL1203700 0.87 NTRK1 (0.54) NTRK1FYNNTRK3NTRK2MKNK1
SCHEMBL2902453 0.86 PIM1 (0.61) NTRK1FYNNTRK3NTRK2MKNK1
SCHEMBL1203685 0.85 NTRK1 (0.54) NTRK1FYNNTRK3NTRK2MKNK1
SCHEMBL2905622 0.82 FYN (0.72) NTRK1FYN
Hydrochloric Acid SCHEMBL1202037 0.81 FYN (0.71) NTRK1FYN
SCHEMBL1202088 0.80 FYN (0.63) NTRK1FYNNTRK3NTRK2MKNK1
SCHEMBL1203062 0.79 FYN (0.60) NTRK1FYNNTRK3NTRK2PIM1
SCHEMBL2905868 0.79 FYN (0.50) NTRK1FYNNTRK3NTRK2MKNK1
SCHEMBL2902438 0.79 FYN (0.57) NTRK1FYN
SCHEMBL3037765 0.79 MKNK1 (0.77) NTRK1FYNNTRK3NTRK2MKNK1

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-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO disclosed