SCHEMBL19467151

SCHEMBL19467151

CC(C)(C)CNc1ccc2ncc(-c3ccc(CN)cc3)n2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.53
FYN P06241 12/20 0.53
IKBKB O14920 1/20 0.52
MKNK1 Q9BUB5 6/20 0.51
NTRK1 P04629 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51

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
SCHEMBL19467093 0.88 FYN (0.55) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL15254721 0.85 PIM1 (0.62) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL19467085 0.84 FYN (0.72) PIM1FYNMKNK1
SCHEMBL19467262 0.84 FYN (0.57) PIM1FYNMKNK1
SCHEMBL20119954 0.84 FYN (0.69) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL19466896 0.83 FYN (0.54) PIM1FYNIKBKBMKNK1NTRK1
SCHEMBL15254925 0.83 FYN (0.59) PIM1FYNMKNK1
SCHEMBL15254347 0.82 FYN (0.62) PIM1FYNMKNK1
SCHEMBL15254410 0.82 FYN (0.54) FYNMKNK1
SCHEMBL19466910 0.81 FYN (0.55) PIM1FYNMKNK1NTRK1NTRK3

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