SCHEMBL20119953

SCHEMBL20119953

COc1ncccc1-c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.59
FYN P06241 2/20 0.43
DYRK1A Q13627 3/20 0.41
DYRK3 O43781 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
DYRK2 Q92630 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PIM1 P11309 3/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL19467077 0.90 AAK1 (0.57) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL19467165 0.89 AAK1 (0.56) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL20119956 0.87 AAK1 (0.56) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL20120005 0.83 DYRK1A (0.47) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL15254541 0.83 AAK1 (0.66) AAK1FYNHRH4
Hydrochloric Acid SCHEMBL15254942 0.82 AAK1 (0.65) AAK1FYNHRH4
SCHEMBL20120088 0.82 AAK1 (0.52) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL15254505 0.81 AAK1 (0.55) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL15254498 0.81 AAK1 (0.55) AAK1FYNDYRK1ADYRK3CCNT1
SCHEMBL15254385 0.81 AAK1 (0.79) AAK1FYNDYRK1ADYRK3CCNT1

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