SCHEMBL3248372

SCHEMBL3248372

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
DHODH Q02127 2/20 0.42
WEE1 P30291 7/20 0.41
CHEK1 O14757 6/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MPL P40238 1/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR4A2 P43354 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL3249304 0.90 NR4A2 (0.48) CDK4CCND1DHODHMPLCYP1A2
SCHEMBL3247597 0.87 MCL1 (0.46) WEE1CHEK1MPLCYP1A2HSD17B10
SCHEMBL3249890 0.85 TRIM24 (0.45) MPLCYP1A2HSD17B10NR4A2GRIK1
SCHEMBL3245608 0.85 ACMSD (0.48) DHODHWEE1CHEK1CYP1A2HSD17B10
SCHEMBL3249242 0.84 XDH (0.49) WEE1CHEK1CYP1A2HSD17B10NR4A2
SCHEMBL3250086 0.84 JAK2 (0.52) CYP1A2HSD17B10
SCHEMBL3242761 0.84 CAMKK2 (0.46) WEE1MPLCYP1A2HSD17B10NR4A2
SCHEMBL3250737 0.83 CYP1A2 (0.41) CDK4CCND1WEE1CHEK1MPL
SCHEMBL3241765 0.83 NR4A2 (0.53) DHODHWEE1CHEK1NR4A2
SCHEMBL3249950 0.83 DHODH (0.47) DHODHCHEK1PARP1

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