SCHEMBL4781610

SCHEMBL4781610

c1coc(-c2nnc3ccc(NC4CCCCC4)nn23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.57
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.45
FLT3 P36888 2/20 0.44
GSK3B P49841 2/20 0.44
JAK2 O60674 1/20 0.44
CDK2 P24941 1/20 0.44
JAK3 P52333 1/20 0.44
PRKCQ Q04759 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
AURKA O14965 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4783817 0.80 PIM1 (0.87) PIM1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4782656 0.76 PIM1 (0.60) PIM1ALDH1A1L3MBTL1FLT3GSK3B
SCHEMBL24736833 0.74 MKNK1 (0.61) PIM1MKNK1
SCHEMBL2763440 0.74 MALT1 (0.67) PIM1ALDH1A1MKNK1
SCHEMBL14422647 0.73 PIM1 (1.00) PIM1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5618964 0.73 PIM1 (0.92) PIM1ALDH1A1FLT3GSK3BJAK2
SCHEMBL12911405 0.72 LMNA (0.51) ALDH1A1GLAHPGDNPSR1L3MBTL1
SCHEMBL11833878 0.72 BRD4 (0.59) ALDH1A1GLAHPGDNPSR1L3MBTL1
SCHEMBL14422679 0.72 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL29408652 0.72 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2

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