SCHEMBL3242986

SCHEMBL3242986

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CC5CCC(C4)N5)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 3/20 0.36
BRAF P15056 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR8 P51685 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3250591 0.92 PARG (0.48) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3250686 0.90 TDP1 (0.52) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3253874 0.90 TDP1 (0.52) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3254875 0.89 PARG (0.43) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3248891 0.87 PARG (0.41) PARGTDP1KDM4EPOLBBRAF
SCHEMBL3251597 0.85 PARG (0.47) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3248591 0.84 TAS2R14 (0.43) TDP1TSHRKDM4EPOLBALDH1A1
SCHEMBL3245494 0.82 PARG (0.42) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3247352 0.82 KDM4E (0.40) PARGTDP1TSHRCYP3A4CYP2C19
SCHEMBL3249535 0.81 TDP1 (0.51) PARGTDP1POLBBRAFALDH1A1

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