SCHEMBL20119956

SCHEMBL20119956

COc1ncccc1-c1cnc2ccc(N3CCN(C=O)CC3)nn12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.56
FYN P06241 5/20 0.41
HRH4 Q9H3N8 1/20 0.39
MAPT P10636 1/20 0.39
DYRK1A Q13627 2/20 0.37
DYRK3 O43781 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PIM1 P11309 1/20 0.37
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
ADRA2B P18089 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL20119953 0.87 AAK1 (0.59) AAK1FYNHRH4MAPTDYRK1A
SCHEMBL20120142 0.86 AAK1 (0.60) AAK1FYNMAPTDYRK1ADYRK3
SCHEMBL19467077 0.86 AAK1 (0.57) AAK1FYNHRH4DYRK1ADYRK3
SCHEMBL19467165 0.85 AAK1 (0.56) AAK1FYNHRH4DYRK1ADYRK3
SCHEMBL15254541 0.82 AAK1 (0.66) AAK1FYNHRH4
Hydrochloric Acid SCHEMBL15254942 0.81 AAK1 (0.65) AAK1FYNHRH4
SCHEMBL15254505 0.78 AAK1 (0.55) AAK1FYNHRH4DYRK1ADYRK3
SCHEMBL15254498 0.78 AAK1 (0.55) AAK1FYNHRH4DYRK1ADYRK3
SCHEMBL20119749 0.78 DYRK1A (0.51) FYNDYRK1ADYRK3CCNT1CDK9
SCHEMBL20120088 0.77 AAK1 (0.52) AAK1FYNHRH4MAPTDYRK1A

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