SCHEMBL22561401

SCHEMBL22561401

CCOC(C)(C)Cn1cc(CNC(=O)CCCC#Cc2cnc(SC)nc2)nn1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.30

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
SCHEMBL22561332 0.88 — —
SCHEMBL25046734 0.87 FNTA (0.35) GLS
SCHEMBL27409985 0.85 GBA1 (0.37) GLS
SCHEMBL22561341 0.80 — —
SCHEMBL27409833 0.79 CNR2 (0.34) GLS
SCHEMBL27409884 0.78 GLS (0.33) GLS
SCHEMBL27411266 0.76 GLS (0.31) GLS
SCHEMBL25045551 0.75 ALDH1A1 (0.30) —
SCHEMBL22561301 0.73 — —
SCHEMBL22561299 0.72 — —

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
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 — — EP disclosed
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