SCHEMBL4783215

SCHEMBL4783215

Cc1ccc(-c2nnc3ccc(N4CCCCC4)nn23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.78
HSD17B10 Q99714 3/20 0.75
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
APAF1 O14727 1/20 0.61
HPGD P15428 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
CDC7 O00311 1/20 0.57
MAP4K4 O95819 1/20 0.57
CDK2 P24941 1/20 0.57
GSK3B P49841 1/20 0.57
HIPK2 Q9H2X6 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
IRAK4 Q9NWZ3 1/20 0.57
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL14422698 0.87 PIM1 (0.76) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL11750772 0.87 PIM1 (0.75) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL11751799 0.86 PIM1 (0.79) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL11539600 0.85 HSD17B10 (0.74) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL4784322 0.80 HSD17B10 (0.53) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL4781880 0.78 PIM1 (0.67) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL32665000 0.78 ALDH1A1 (0.50) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL5619103 0.78 PIM1 (0.67) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL5618927 0.77 PIM1 (0.63) PIM1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL5618794 0.77 DPP4 (0.69) PIM1HSD17B10HTTSMN1; SMN2KDM4E

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
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO claimed
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed