SCHEMBL20120084

SCHEMBL20120084

COc1ccccc1-c1cnc2ccc(N3CC4CC3CN4C=O)nn12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.52
FYN P06241 11/20 0.42
JAK1 P23458 1/20 0.36
RIPK2 O43353 1/20 0.35
MAP3K7 O43318 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL15255002 0.81 AAK1 (0.53) AAK1FYNJAK1EGLN1
SCHEMBL15258054 0.81 AAK1 (0.53) AAK1FYNJAK1EGLN1
SCHEMBL20120142 0.77 AAK1 (0.60) AAK1FYNRIPK2
SCHEMBL15254778 0.74 AAK1 (0.54) AAK1FYNJAK1
SCHEMBL15254782 0.74 AAK1 (0.54) AAK1FYNJAK1
SCHEMBL19467068 0.69 AAK1 (0.57) AAK1FYN
SCHEMBL19467098 0.69 AAK1 (0.82) AAK1FYNEGLN1
SCHEMBL19467099 0.68 AAK1 (0.56) AAK1FYN
SCHEMBL19467100 0.68 AAK1 (0.63) AAK1FYNJAK1
SCHEMBL16010419 0.67 FYN (0.70) 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 1 patent. 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