SCHEMBL3245137

SCHEMBL3245137

CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
PARP14 Q460N5 2/20 0.43
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
METAP2 P50579 2/20 0.41
NR3C1 P04150 4/20 0.39
PGR P06401 3/20 0.39
NR3C2 P08235 3/20 0.39
AR P10275 3/20 0.39
TRPV1 Q8NER1 4/20 0.38
BACE1 P56817 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
KDM1A O60341 1/20 0.38
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL3249846 0.87 KDM4E (0.46) MCL1PARP14CDK1CDK2IRAK4
SCHEMBL4157488 0.84 MCL1 (0.42) MCL1PARP14CDK1CDK2IRAK4
SCHEMBL3244339 0.83 BRD4 (0.42) MCL1KDM1A
SCHEMBL3254005 0.81 TRPV1 (0.43) MCL1PARP14TRPV1BACE1
SCHEMBL3250871 0.81 BRD4 (0.40)
SCHEMBL3241736 0.81 WEE1 (0.39) MCL1BACE1
SCHEMBL3245633 0.81 PRKAB2 (0.46)
SCHEMBL3249063 0.81 CDK2 (0.39) MCL1PARP14CDK1CDK2IRAK4
SCHEMBL3249304 0.80 NR4A2 (0.48) MCL1
SCHEMBL3248629 0.80 MCL1 (0.50) MCL1BACE1

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