SCHEMBL20120142

SCHEMBL20120142

COc1ccccc1-c1cnc2ccc(N3CCN(C=O)CC3)nn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.60
FYN P06241 10/20 0.47
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
RIPK2 O43353 1/20 0.39
TP53 P04637 1/20 0.39
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 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
SCHEMBL19467068 0.86 AAK1 (0.57) AAK1FYNPOLBMAPTALDH1A1
SCHEMBL20119956 0.86 AAK1 (0.56) AAK1FYNMAPTDYRK3CCNT1
SCHEMBL19467099 0.85 AAK1 (0.56) AAK1FYNPOLBMAPTALDH1A1
SCHEMBL15254866 0.82 AAK1 (0.59) AAK1FYNPOLBMAPTALDH1A1
SCHEMBL19466884 0.82 AAK1 (0.67) AAK1FYNPOLBMAPTUSP2
SCHEMBL19467154 0.81 AAK1 (0.59) AAK1FYNPOLBMAPTUSP2
Hydrochloric Acid SCHEMBL15254901 0.81 AAK1 (0.59) AAK1FYNPOLBMAPTALDH1A1
SCHEMBL20119749 0.80 DYRK1A (0.51) FYNDYRK3CCNT1CDK9DYRK1A
SCHEMBL20120084 0.77 AAK1 (0.52) AAK1FYNRIPK2
SCHEMBL19467098 0.76 AAK1 (0.82) AAK1FYNITGB2ICAM1ITGAL

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