SCHEMBL30006754

SCHEMBL30006754

O=c1[nH]c2cccnc2n1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.54
TNKS2 Q9H2K2 1/20 0.54
DAO P14920 1/20 0.51
CHRM1 P11229 5/20 0.50
DRD2 P14416 4/20 0.50
KCNH2 Q12809 3/20 0.50
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
TP53 P04637 1/20 0.46
PDE2A O00408 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
PDE5A O76074 1/20 0.42
PDE9A O76083 1/20 0.42
PDE8B O95263 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL2604347 1.00 TNKS (0.54) TNKSTNKS2DAOCHRM1DRD2
Hydrochloric Acid SCHEMBL16876753 0.99 TNKS (0.53) TNKSTNKS2DAOCHRM1DRD2
Hydrochloric Acid SCHEMBL31285994 0.99 TNKS (0.53) TNKSTNKS2DAOCHRM1DRD2
SCHEMBL16695655 0.91 TNKS (0.61) TNKSTNKS2DAOCHRM1DRD2
Hydrochloric Acid SCHEMBL23236186 0.91 TNKS (0.48) TNKSTNKS2DAOCHRM1DRD2
Hydrochloric Acid SCHEMBL23236183 0.91 TNKS (0.48) TNKSTNKS2DAOCHRM1DRD2
SCHEMBL23952710 0.88 TNKS (0.56) TNKSTNKS2DAOCHRM1DRD2
SCHEMBL11556952 0.87 CHRM1 (0.56) TNKSTNKS2DAOCHRM1DRD2
SCHEMBL26349406 0.86 PDE2A (0.47) TNKSTNKS2DAOCHRM1DRD2
SCHEMBL15205036 0.85 DAO (0.54) TNKSTNKS2DAOCHRM1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323357-A1 PROCESS FOR THE SYNTHESIS OF 1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE AND/OR DERIVATIVES THEREOF Siegfried AG (CH) 2024-02-21 EP disclosed
WO-2022218811-A1 PROCESS FOR THE SYNTHESIS OF 1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE AND/OR DERIVATIVES THEREOF SIEGFRIED AG (CH) 2022-10-20 WO disclosed