SCHEMBL19466720

SCHEMBL19466720

CNC(=O)OCCNc1ccc2ncc(-c3cccc(C(N)=O)c3)n2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.61
PIM1 P11309 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
DYRK3 O43781 2/20 0.50
DYRK1A Q13627 2/20 0.50
DYRK2 Q92630 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
AAK1 Q2M2I8 1/20 0.49

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
SCHEMBL2948990 0.89 FYN (0.67) FYNPIM1PIM2
SCHEMBL19467260 0.89 AAK1 (0.61) FYNPIM1AAK1
SCHEMBL19466837 0.86 FYN (0.72) FYNPIM1
SCHEMBL4697131 0.85 FYN (0.82) FYNPIM1PIM2
SCHEMBL19466981 0.83 FYN (0.52) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL4695467 0.83 FYN (0.72) FYNPIM1PIM2AAK1
SCHEMBL1052447 0.82 FYN (0.81) FYNPIM1PIM2
SCHEMBL19466955 0.81 FYN (0.54) FYNPIM1
SCHEMBL19466719 0.80 FYN (0.62) FYNPIM1PIM2DYRK3DYRK1A
SCHEMBL19466722 0.80 NTRK1 (0.58) FYN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed
EP-2822555-B1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LEXICON PHARMACEUTICALS INC (US) 2017-11-08 EP disclosed
EP-3235499-A2 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN Lexicon Pharmaceuticals, Inc. (US) 2017-10-25 EP disclosed