SCHEMBL3241703

SCHEMBL3241703

CN(C)Cc1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ENPP2 Q13822 1/20 0.42
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
TLR9 Q9NR96 1/20 0.41
PARP1 P09874 4/20 0.40
NEK1 Q96PY6 1/20 0.38
AOC3 Q16853 3/20 0.38
NR4A2 P43354 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CHUK O15111 1/20 0.36
INSR P06213 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL3253846 0.88 NPC1 (0.43) TLR8TLR7TLR9KDM4E
SCHEMBL3245608 0.88 ACMSD (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3242712 0.86 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4171642 0.85 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3249304 0.84 NR4A2 (0.48) PARP1NR4A2DHODHKDM4E
SCHEMBL3248372 0.82 CDK4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3247597 0.81 MCL1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3245580 0.81 TLR8 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3242761 0.80 CAMKK2 (0.46) PARP1NR4A2CAMKK2KDM4EMEN1
SCHEMBL3249890 0.79 TRIM24 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 6 patents. 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
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed