SCHEMBL22849150

SCHEMBL22849150

COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(C)cccc43)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HCRTR2 O43614 5/20 0.41
▸ HCRTR1 O43613 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GSK3B P49841 3/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL21070392 0.89 MEN1 (0.41) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL25122932 0.89 MEN1 (0.41) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL31727914 0.89 MEN1 (0.41) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL25337449 0.89 MEN1 (0.41) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL31702383 0.88 MEN1 (0.39) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL29751250 0.87 MEN1 (0.39) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL24607332 0.87 MEN1 (0.39) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL20840301 0.86 DCTPP1 (0.43) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL21998074 0.85 HCRTR2 (0.44) MEN1KMT2ALMNAHCRTR2HCRTR1
SCHEMBL25338661 0.84 MEN1 (0.37) MEN1KMT2ALMNAHCRTR2HCRTR1

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-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 — — WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 — — WO disclosed
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