SCHEMBL3249865

SCHEMBL3249865

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccc(OC)cc4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
DYRK1A Q13627 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SCN9A Q15858 2/20 0.39
HSD17B10 Q99714 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL3252380 0.90 CSF1R (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3253850 0.89 SCN9A (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3249647 0.87 CHEK1 (0.37) ALDH1A1HPGDNPC1SCN9AHSD17B10
SCHEMBL3243041 0.87 WEE1 (0.38) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL3250859 0.86 RIOK2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3250416 0.86 CDK4 (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3252050 0.85 GAA (0.40) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL3244562 0.85 CCNC (0.38) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL3249476 0.85 ICMT (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3250598 0.84 JAK2 (0.50) KDM4EALDH1A1HPGDNPC1RAB9A

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 1 patent. 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