SCHEMBL2905914

SCHEMBL2905914

CN1CCN(c2ccc(CNc3ccc4ncc(C(=O)O)n4n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.46
JAK1 P23458 4/20 0.45
FYN P06241 3/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
AURKA O14965 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
NTRK1 P04629 3/20 0.43
STAT6 P42226 1/20 0.43
ENPP2 Q13822 2/20 0.43
ACE2 Q9BYF1 1/20 0.43
PIM1 P11309 1/20 0.42
JAK2 O60674 1/20 0.42
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL1203306 0.85 JAK3 (0.49) JAK3JAK1FYNNTRK1PIM1
SCHEMBL1202810 0.84 JAK3 (0.49) JAK3JAK1FYNNTRK1PIM1
SCHEMBL2902453 0.81 PIM1 (0.61) FYNMKNK1NTRK1PIM1JAK2
SCHEMBL1202088 0.80 FYN (0.63) FYNMKNK1NTRK1PIM1JAK2
SCHEMBL1203600 0.80 FYN (0.59) FYNMKNK1NTRK1PIM1
SCHEMBL1053477 0.78 FYN (0.61) FYNMKNK1NTRK1PIM1JAK2
SCHEMBL16331737 0.78 NTRK1 (0.69) FYNMKNK1NTRK1PIM1JAK2
SCHEMBL1203378 0.77 NTRK1 (0.56) FYNMKNK1NTRK1PIM1JAK2
SCHEMBL1055180 0.76 PIM1 (0.61) FYNMKNK1NTRK1PIM1
SCHEMBL2905622 0.75 FYN (0.72) FYNCDK2NTRK1

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