SCHEMBL2907129

SCHEMBL2907129

O=C(O)c1cnc2cc(F)c(NCc3cccc(Cl)c3)nn12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FYN P06241 5/20 0.44
VNN1 O95497 3/20 0.41
NTRK1 P04629 3/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KCNN3 Q9UGI6 1/20 0.39
APP P05067 1/20 0.39
GRM4 Q14833 1/20 0.39
PTK2 Q05397 1/20 0.39
PDE2A O00408 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
SCHEMBL1203362 0.80 FLT1 (0.49) FYNKCNN3
SCHEMBL2905633 0.80 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FYN
SCHEMBL2903422 0.78 MMP13 (0.43) HDAC3HDAC1HDAC2HDAC6FYN
SCHEMBL1203062 0.74 FYN (0.60) HDAC3HDAC1HDAC2HDAC6FYN
SCHEMBL1202935 0.73 P4HTM (0.47) FYN
SCHEMBL2898694 0.70 NTRK1 (0.54) FYNNTRK1
SCHEMBL2905868 0.69 FYN (0.50) FYNNTRK1
SCHEMBL1203106 0.69 NTRK1 (0.49) NTRK1PTK2
SCHEMBL2905622 0.68 FYN (0.72) FYNNTRK1
SCHEMBL2903393 0.67 KDM4E (0.47) FYNVNN1PDE2A

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