SCHEMBL20120083

SCHEMBL20120083

O=CN1CCN(c2ccc3ncc(Br)n3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 4/20 0.39
APAF1 O14727 1/20 0.37
GAA P10253 1/20 0.37
DYRK1A Q13627 3/20 0.36
DYRK3 O43781 2/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
MEN1 O00255 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
SCHEMBL24074245 0.82 HTT (0.51) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL12411738 0.82 HTT (0.47) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL13111002 0.81 KDM4E (0.56) HPGDHSD17B10KDM4EMAPTDYRK1A
SCHEMBL15254918 0.81 MAPT (0.40) HPGDHSD17B10KDM4EMAPTDYRK1A
SCHEMBL26582556 0.81 HTT (0.50) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL15258058 0.80 AKR1C3 (0.47) HPGDHSD17B10KDM4EMAPTDYRK1A
SCHEMBL20119749 0.80 DYRK1A (0.51) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL12613670 0.80 MAPT (0.43) HPGDHSD17B10KDM4EMAPTAPAF1
SCHEMBL15254681 0.78 CSNK1E (0.46) HSD17B10KDM4EDYRK1ADYRK3CCNT1
SCHEMBL1055595 0.78 ALOX15 (0.51) HPGDHSD17B10KDM4EMAPTGAA

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