SCHEMBL26043142

SCHEMBL26043142

CCc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
LPL P06858 9/20 0.41
LIPG Q9Y5X9 9/20 0.41
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HIF1A Q16665 1/20 0.35
ESR2 Q92731 1/20 0.35
SNCA P37840 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
F11 P03951 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
SCHEMBL8033366 0.81 EGFR (0.55) EGFRLPLLIPGPRMT5WDR77
SCHEMBL30126803 0.81 EGFR (0.52) EGFRLPLLIPGPRMT5WDR77
SCHEMBL1585479 0.80 EGFR (0.54) EGFR
SCHEMBL30127458 0.78 EGFR (0.52) EGFRLPLLIPGPRMT5WDR77
SCHEMBL30926304 0.78 EGFR (0.52) EGFRLPLLIPGPRMT5WDR77
SCHEMBL21756263 0.78 EGFR (0.52) EGFRLPLLIPGPRMT5WDR77
SCHEMBL20311704 0.76 EGFR (0.46) EGFRLPLLIPGPRMT5WDR77
Ammonia Solution, Strong SCHEMBL28597121 0.75 LPL (0.44) EGFRLPLLIPGPRMT5WDR77
SCHEMBL15254803 0.74 EGFR (0.46) EGFRLPLLIPGPRMT5WDR77
SCHEMBL1584960 0.73 EGFR (0.58) EGFRHIF1AIRAK4

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-2023144559-A1 ANTAGONIST OF ADENOSINE RECEPTORS AdoRx Therapeutics Limited (GB) 2023-08-03 WO disclosed