SCHEMBL3245580

SCHEMBL3245580

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(CN(C)C)c4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
TLR9 Q9NR96 1/20 0.41
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
TYMS P04818 1/20 0.35
NEK1 Q96PY6 2/20 0.35
PARP1 P09874 4/20 0.35
CSF1R P07333 1/20 0.35
TNKS O95271 2/20 0.34
NPC1 O15118 1/20 0.34
AVPR1B P47901 3/20 0.34
CLEC4M Q9H2X3 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 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
SCHEMBL3255505 0.90 CHEK1 (0.39) TLR8TLR7GRIN2DGRIN3BGRIN1
SCHEMBL3251517 0.88 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3252380 0.87 CSF1R (0.43) CSF1RNPC1GABRA1GABRB1GABRA3
SCHEMBL3252050 0.86 GAA (0.40) TYMSCSF1RNPC1CLEC4M
SCHEMBL3253846 0.86 NPC1 (0.43) TLR8TLR7TLR9CSF1RNPC1
SCHEMBL3249476 0.85 ICMT (0.37) TYMSCSF1RNPC1CLEC4M
SCHEMBL3254793 0.83 HRH2 (0.40) TLR8TLR7TYMSCSF1RNPC1
SCHEMBL3252205 0.83 TTK (0.42) MAPK8
SCHEMBL3250925 0.83 NR1H2 (0.38) TYMSCSF1RNPC1CLEC4MCAMKK2
SCHEMBL3253850 0.82 SCN9A (0.38) TYMSCSF1RNPC1CLEC4MGABRA1

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed