SCHEMBL3247192

SCHEMBL3247192

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NCc4cccc(Cl)c4)cc3c12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.56
PTPN1 P18031 12/20 0.56
PTPN6 P29350 11/20 0.56
MCL1 Q07820 1/20 0.47
POLB P06746 2/20 0.46
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP19A1 P11511 1/20 0.42
MAPT P10636 1/20 0.41
AKR1C3 P42330 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
SCHEMBL3245344 0.84 PTPN11 (0.54) PTPN11PTPN1PTPN6POLBMEN1
SCHEMBL3242717 0.84 ALDH1A1 (0.54) POLBMEN1CYP1A2KMT2AHSD17B10
SCHEMBL3251641 0.81 BRD4 (0.61) MAPT
SCHEMBL3250055 0.81 POLB (0.43) PTPN11PTPN1PTPN6MCL1POLB
SCHEMBL3249998 0.80 POLB (0.47) POLBMEN1CYP1A2CYP2C9KMT2A
SCHEMBL3249991 0.79 BRD4 (0.50) MCL1POLBMAPT
SCHEMBL3252130 0.79 TAS2R14 (0.50) PTPN11POLBMEN1CYP1A2CYP2C9
SCHEMBL3249438 0.78 PTPN11 (0.45) PTPN11POLBMEN1CYP1A2CYP2C9
SCHEMBL3247788 0.78 DAO (0.46) POLBMEN1CYP1A2CYP2C9KMT2A
SCHEMBL3254470 0.78 PKM (0.53) POLBMAPT

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-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