SCHEMBL3249991

SCHEMBL3249991

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
PDE3A Q14432 1/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 4/20 0.45
PKM P14618 3/20 0.43
AR P10275 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
WDR5 P61964 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL3248780 0.94 BRD4 (0.58) BRD4MAPTGAAPKMWDR5
SCHEMBL3247955 0.91 PKM (0.54) BRD4PDE3AMAPTGAAPOLB
SCHEMBL3254470 0.91 PKM (0.53) BRD4PDE3AMAPTGAAPOLB
SCHEMBL3250653 0.90 POLB (0.57) BRD4PDE3AMAPTGAAPOLB
SCHEMBL3251303 0.90 PDE3A (0.45) BRD4PDE3AMAPTGAAPOLB
SCHEMBL3251084 0.90 MAPT (0.50) PDE3AMAPTGAAPOLBPKM
SCHEMBL3242717 0.89 ALDH1A1 (0.54) BRD4MAPTGAAPOLBPKM
SCHEMBL3248608 0.88 POLB (0.46) BRD4PDE3AMAPTGAAPOLB
SCHEMBL3249048 0.87 POLB (0.54) BRD4MAPTGAAPOLBTDP1
SCHEMBL3251641 0.87 BRD4 (0.61) BRD4MAPTPKM

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