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SCHEMBL16295201

SCHEMBL16295201

Nc1cn2c(CO)c(-c3ccc(Br)cc3)nc2cn1.Nc1cn2c(CO)c(-c3ccc(Cl)cc3)nc2cn1.Nc1cn2c(CO)c(-c3ccc(F)cc3)nc2cn1.OCc1c(-c2ccc(F)cc2)nc2cnc(N3CCC3)cn12.OCc1c(-c2cccc3c2OCCO3)nc2cnc(Br)cn12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A3 P11169 1/20 0.34
▸ SLC2A4 P14672 1/20 0.34
▸ SLC2A1 P11166 11/20 0.34
▸ SLC2A2 P11168 2/20 0.33
▸ BRD4 O60885 2/20 0.30
▸ HTR1A P08908 2/20 0.30
▸ DRD2 P14416 2/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL18953135 0.77 CNR1 (0.38) SLC2A1SLC2A2
SCHEMBL1691817 0.76 CHEK2 (0.36) SLC2A2
SCHEMBL1691208 0.74 GABRA1 (0.41) SLC2A3SLC2A4SLC2A1BRD4
SCHEMBL1691220 0.69 ALDH1A1 (0.46) SLC2A1SLC2A2DRD3
SCHEMBL1691297 0.69 GABRA1 (0.44) SLC2A3SLC2A4SLC2A1
SCHEMBL1691256 0.69 GABRA1 (0.44) SLC2A3SLC2A4SLC2A1
SCHEMBL1691243 0.69 SLC2A1 (0.37) SLC2A1
SCHEMBL1691797 0.69 ALDH1A1 (0.46) SLC2A1SLC2A2DRD3
SCHEMBL1691415 0.68 SLC2A1 (0.38) SLC2A1HTR2B
SCHEMBL1691379 0.64 MAPK14 (0.35) —

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
WO-2014199171-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN LIMITED (GB) 2014-12-18 — — WO disclosed