SCHEMBL3249236

SCHEMBL3249236

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc3c12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.60
HTR6 P50406 3/20 0.49
MAPT P10636 1/20 0.45
PDE3A Q14432 1/20 0.43
IMPDH2 P12268 1/20 0.41
MCL1 Q07820 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL3245598 0.91 BRD4 (0.48) BRD4HTR6POLB
SCHEMBL3248780 0.91 BRD4 (0.58) BRD4HTR6MAPT
SCHEMBL3248975 0.91 POLB (0.49) BRD4HTR6POLB
SCHEMBL3246043 0.91 BRD4 (0.48) BRD4HTR6MAPTPOLB
SCHEMBL3245587 0.90 BRD4 (0.48) BRD4HTR6MAPTPOLB
SCHEMBL3251641 0.90 BRD4 (0.61) BRD4HTR6MAPT
SCHEMBL3251476 0.90 BRD4 (0.48) BRD4HTR6MAPTPOLB
SCHEMBL3241818 0.90 BRD4 (0.62) BRD4HTR6MCL1
SCHEMBL3254470 0.89 PKM (0.53) BRD4MAPTPDE3APOLB
SCHEMBL3251041 0.89 MAPT (0.50) BRD4HTR6MAPT

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