SCHEMBL19211604

SCHEMBL19211604

CCOC(Cn1c(=O)ccc2ccc(Oc3cccnc3)nc21)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
METAP2 P50579 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK4 P11802 6/20 0.36
CCND1 P24385 6/20 0.36
CCND2 P30279 6/20 0.36
CCND3 P30281 6/20 0.36
HTR6 P50406 1/20 0.36
GRM5 P41594 4/20 0.36
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KRAS P01116 1/20 0.34
CCNB2 O95067 2/20 0.34
CCNE2 O96020 2/20 0.34
CDK1 P06493 2/20 0.34
FGFR1 P11362 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR4 P22455 2/20 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
SCHEMBL23510555 0.86 CDK4 (0.46) METAP2MAP4K4CDK4CCND1CCND2
SCHEMBL19211605 0.80 MAP4K4 (0.39) MAPTMETAP2MAP4K4HTR6GRM5
SCHEMBL19212759 0.80 CA1 (0.39) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL19231473 0.78 MAP4K4 (0.42) MAPTMAP4K4CDK4CCND1CCND2
SCHEMBL20710555 0.77 CDK4 (0.44) MAP4K4CDK4CCND1CCND2CCND3
SCHEMBL19211615 0.75 PKM (0.36) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL19211571 0.74 PKM (0.40) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL19250526 0.72 CDK4 (0.39) CDK4CCND1CCND2CCND3PIM1
SCHEMBL19212793 0.70 MTNR1A (0.35) CDK4CCND1CCND2CCND3GRM5
SCHEMBL19211574 0.70 CDK4 (0.44) CDK4CCND1CCND2CCND3CCNB2

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-3414246-A1 ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
EP-3413976-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
WO-2017137743-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed