SCHEMBL2902453

SCHEMBL2902453

O=C(O)c1cnc2ccc(NCc3ccc(O)cc3)nn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.61
FYN P06241 9/20 0.51
MKNK1 Q9BUB5 1/20 0.51
NTRK1 P04629 6/20 0.47
NTRK3 Q16288 3/20 0.47
NTRK2 Q16620 3/20 0.47
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

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
SCHEMBL1202088 0.89 FYN (0.63) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL2898694 0.86 NTRK1 (0.54) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL1203600 0.86 FYN (0.59) PIM1FYNMKNK1NTRK1
SCHEMBL1203612 0.86 PIM1 (0.56) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL1202920 0.85 PIM1 (0.53) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL1203378 0.85 NTRK1 (0.56) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL2905622 0.83 FYN (0.72) FYNNTRK1IKBKB
Hydrochloric Acid SCHEMBL1202037 0.82 FYN (0.71) FYNNTRK1IKBKB
SCHEMBL1203100 0.81 PIM1 (0.66) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL2905914 0.81 JAK3 (0.46) PIM1FYNMKNK1NTRK1JAK2

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