SCHEMBL3250859

SCHEMBL3250859

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccc(OC)nc4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 9/20 0.45
LOXL2 Q9Y4K0 1/20 0.38
PADI4 Q9UM07 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
PIK3CA P42336 2/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 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
SCHEMBL3246162 0.88 TLR8 (0.37) RIOK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3249865 0.86 KDM4E (0.40) PRKAG1PRKAA1PRKAB1GABRA1GABRG2
SCHEMBL3254800 0.85 RIOK2 (0.46) RIOK2LOXL2PRKAG1PRKAA1PRKAB1
SCHEMBL3250544 0.85 MMP2 (0.48)
SCHEMBL3252380 0.84 CSF1R (0.43) GABRA1GABRA3GABRB1GABRB2
SCHEMBL3253850 0.83 SCN9A (0.38) GABRA1GABRA3GABRB1GABRB2
SCHEMBL3244562 0.81 CCNC (0.38) MAP3K11
SCHEMBL3252050 0.81 GAA (0.40)
SCHEMBL3250692 0.81 HPGD (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3248921 0.81 ALDH1A1 (0.41) GABRA1GABRB2

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