SCHEMBL4755903

SCHEMBL4755903

O=c1ccc2cnccc2n1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MKNK2 Q9HBH9 3/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
FEN1 P39748 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ERN1 O75460 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
GLO1 Q04760 1/20 0.34
MAPK8 P45983 1/20 0.34
CA12 O43570 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL2614351 0.81 BRPF1 (0.55) PDE3BPDE3AMKNK2CDC7CDK2
SCHEMBL30066887 0.81 BRPF1 (0.55) PDE3BPDE3AMKNK2CDC7CDK2
SCHEMBL29070088 0.77 PDE3B (0.39) DAOPDE3BPDE3AMKNK2CDC7
SCHEMBL29981364 0.77 PDE3B (0.39) DAOPDE3BPDE3AMKNK2CDC7
SCHEMBL17910206 0.73 CDK4 (0.36) PDE3BPDE3AMKNK2CDC7CDK2
SCHEMBL29830392 0.73 CDK4 (0.51) CDK2MAPK9MAPK10HDAC1HDAC6
SCHEMBL29830247 0.73 USP2 (0.43) PDE3BPDE3ACDK2MAPK9MAPK10
SCHEMBL10245183 0.73 CDK4 (0.51) CDK2MAPK9MAPK10HDAC1HDAC6
SCHEMBL26815266 0.73 USP2 (0.43) PDE3BPDE3ACDK2MAPK9MAPK10
SCHEMBL12604116 0.73 PDE3B (0.36) PDE3BPDE3AMKNK2CDC7CDK2

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-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed