SCHEMBL10071001

SCHEMBL10071001

CCCCOc1c(C(=O)OC)nc2c(NCCCO)cc(N(C)C)cn2c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
PDE5A O76074 2/20 0.32
PDE6A P16499 2/20 0.32
PDE4B Q07343 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
NQO1 P15559 1/20 0.30
NQO2 P16083 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL10070425 0.84 SYK (0.40) SYK
SCHEMBL10069908 0.83 KDM4E (0.32) MAOAMAOB
SCHEMBL10070091 0.77
SCHEMBL10070992 0.77 TYK2 (0.31)
SCHEMBL10071004 0.75
SCHEMBL10069924 0.72 PDE4B (0.39) PDE4BMAOB
SCHEMBL10070928 0.71 ESR1 (0.33) MAOAMAOB
SCHEMBL10069877 0.71 THRA (0.34) MAOAMAOB
SCHEMBL10070427 0.71 SYK (0.39) SYK
SCHEMBL10070944 0.70 MMP9 (0.34)

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
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed