SCHEMBL3248608

SCHEMBL3248608

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)c(F)c4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
BRD4 O60885 4/20 0.42
PDE3A Q14432 1/20 0.41
PKM P14618 4/20 0.41
KMT2A Q03164 4/20 0.40
BRAF P15056 1/20 0.40
GAA P10253 2/20 0.40
AR P10275 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3250653 0.90 POLB (0.57) POLBBRD4PDE3APKMKMT2A
SCHEMBL3248975 0.88 POLB (0.49) POLBBRD4PKMKMT2ABRAF
SCHEMBL3249991 0.88 BRD4 (0.50) POLBBRD4PDE3APKMGAA
SCHEMBL3244485 0.88 POLB (0.47) POLBBRD4PDE3APKMKMT2A
SCHEMBL3247955 0.87 PKM (0.54) POLBBRD4PDE3APKMKMT2A
SCHEMBL3254470 0.87 PKM (0.53) POLBBRD4PDE3APKMBRAF
SCHEMBL3252388 0.87 HSD17B10 (0.47) POLBPKMKMT2AMAPTMEN1
SCHEMBL3251084 0.86 MAPT (0.50) POLBPDE3APKMKMT2ABRAF
SCHEMBL3248780 0.86 BRD4 (0.58) BRD4PKMGAAMAPT
SCHEMBL3251303 0.86 PDE3A (0.45) POLBBRD4PDE3APKMBRAF

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 4 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-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