SCHEMBL3245608

SCHEMBL3245608

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(CO)c4)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
DHODH Q02127 2/20 0.45
CHEK1 O14757 1/20 0.41
WEE1 P30291 1/20 0.41
PRKAB2 O43741 3/20 0.41
PRKAG1 P54619 3/20 0.41
PRKAA2 P54646 3/20 0.41
PRKAA1 Q13131 3/20 0.41
PRKAG3 Q9UGI9 3/20 0.41
PRKAG2 Q9UGJ0 3/20 0.41
PRKAB1 Q9Y478 3/20 0.41
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39

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
SCHEMBL3242712 0.88 GRIN2D (0.42) ACMSDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3241703 0.88 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3249304 0.87 NR4A2 (0.48) ACMSDDHODHPRKAB2PRKAG1PRKAA2
SCHEMBL3254531 0.86 CLEC4M (0.45) CYP1A2KDM4E
SCHEMBL3248372 0.85 CDK4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3247597 0.84 MCL1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4163088 0.83 GRIN2D (0.45) ACMSDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3249890 0.83 TRIM24 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3249242 0.82 XDH (0.49) CHEK1WEE1IKBKBCHUKCYP1A2
SCHEMBL3242761 0.81 CAMKK2 (0.46) WEE1CYP1A2HSD17B10NR4A2KDM4E

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