SCHEMBL20120004

SCHEMBL20120004

CN(C(O)C1CCCC1)[C@H]1CCN(c2ccc3ncc(-c4cccnc4O)n3n2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.56
PIM1 P11309 2/20 0.37
DYRK3 O43781 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
NTRK1 P04629 9/20 0.37
NTRK3 Q16288 9/20 0.37
NTRK2 Q16620 9/20 0.37
RET P07949 3/20 0.34
KDR P35968 3/20 0.34
FLT3 P36888 3/20 0.34
JAK2 O60674 2/20 0.32
INSR P06213 2/20 0.32
LYN P07948 2/20 0.32
MET P08581 2/20 0.32
ROS1 P08922 2/20 0.32
FGR P09769 2/20 0.32

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
SCHEMBL19466750 0.83 AAK1 (0.62) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL15258059 0.83 AAK1 (0.62) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19467007 0.80 AAK1 (0.63) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19467280 0.80 AAK1 (0.63) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19467009 0.80 AAK1 (0.63) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19467282 0.80 AAK1 (0.63) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19466875 0.79 AAK1 (0.60) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19466877 0.79 AAK1 (0.60) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL15254438 0.79 AAK1 (0.48) AAK1PIM1DYRK3CCNT1CDK9
SCHEMBL19467247 0.79 AAK1 (0.59) AAK1PIM1DYRK3CCNT1CDK9

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