SCHEMBL24608046

SCHEMBL24608046

COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(C)c(C5CCN(C(=O)OC(C)(C)C)CC5)ccc43)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ STS P08842 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29751042 1.00 TP53 (0.41) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL29751135 0.93 TP53 (0.40) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL24607991 0.93 TP53 (0.40) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL31281923 0.93 TP53 (0.40) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL31443823 0.91 TP53 (0.39) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL31443994 0.90 TP53 (0.38) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL23832593 0.89 TP53 (0.40) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL24607322 0.88 TP53 (0.40) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL29751211 0.88 TP53 (0.40) TP53ALDH1A1PIK3CAPRKDCMTOR
SCHEMBL31443924 0.88 SMN1; SMN2 (0.41) TP53ALDH1A1HTTLMNAMAPT

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 — — WO disclosed
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