SCHEMBL20116464

SCHEMBL20116464

CCOC(C)c1ccc(N2CCOCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
PCSK9 Q8NBP7 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
MAPK1 P28482 3/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL20116508 0.85 MAPT (0.40) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL10255058 0.81 POLB (0.51) POLBPCSK9MAPTALDH1A1KDM4E
SCHEMBL21003967 0.80 ALDH1A1 (0.49) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL22538747 0.79 POLB (0.49) POLBPCSK9MAPTALDH1A1KDM4E
SCHEMBL23104156 0.76 POLB (0.47) POLBPCSK9MAPTALDH1A1KDM4E
SCHEMBL13549935 0.76 MAPT (0.45) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL23108639 0.74 POLB (0.45) POLBPCSK9MAPTALDH1A1KDM4E
SCHEMBL20582235 0.73 POLB (0.47) POLBPCSK9MAPTALDH1A1KDM4E
SCHEMBL5391233 0.72 ALDH1A1 (0.47) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL807518 0.72 POLB (0.51) POLBPCSK9MAPTALDH1A1KDM4E

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
EP-4212523-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-07-19 EP disclosed
WO-2018081294-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed