SCHEMBL20047038

SCHEMBL20047038

Cc1cn(CCOCCOCCOCCN)nn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.45
DPP4 P27487 1/20 0.42
NCF1 P14598 9/20 0.38
CHRNA7 P36544 2/20 0.35
CYBB P04839 1/20 0.35
NOX5 Q96PH1 1/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
FOLH1 Q04609 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
SCHEMBL24029526 1.00 MAPK14 (0.45) MAPK14DPP4NCF1CHRNA7CYBB
SCHEMBL22994946 0.91 MAPK14 (0.41) MAPK14DPP4NCF1CHRNA7CYBB
SCHEMBL18850692 0.85 CHRNA7 (0.38) MAPK14DPP4NCF1CHRNA7DRD2
SCHEMBL15281111 0.85 CHRNA7 (0.38) MAPK14DPP4NCF1CHRNA7DRD2
SCHEMBL15223677 0.85 CHRNA7 (0.38) MAPK14DPP4NCF1CHRNA7DRD2
SCHEMBL17586038 0.85 CHRNA7 (0.38) MAPK14DPP4NCF1CHRNA7DRD2
SCHEMBL15976248 0.84 GBA1 (0.39) DPP4NCF1CHRNA7CYBBNOX5
SCHEMBL22906473 0.81 DPP4 (0.35) MAPK14DPP4NCF1CHRNA7CYBB
SCHEMBL18850696 0.81 DPP4 (0.35) MAPK14DPP4NCF1CHRNA7CYBB
SCHEMBL17740224 0.80 NCF1 (0.43) MAPK14NCF1CYBBNOX5DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2018067615-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. (US) 2018-04-12 WO disclosed