SCHEMBL25794271

SCHEMBL25794271

CC(C)c1ccc(CN(N)c2nc(S)nc(NCCN)c2N)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ SYK P43405 1/20 0.32
▸ PYCR1 P32322 1/20 0.30
▸ DHFR P00374 1/20 0.30
▸ COPS5 Q92905 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL25794279 0.87 STK17A (0.37) STK17BSTK17A
SCHEMBL25794302 0.81 — —
SCHEMBL25794273 0.68 USP28 (0.57) —
SCHEMBL4409856 0.61 STK17B (0.43) STK17BSTK17A
SCHEMBL7093994 0.60 ALDH1A1 (0.45) DHFRCOPS5
SCHEMBL5792717 0.58 L3MBTL1 (0.62) MCHR1
SCHEMBL9189354 0.58 CNR2 (0.49) PYCR1
Hydrochloric Acid SCHEMBL9457584 0.57 CNR2 (0.48) PYCR1
SCHEMBL717640 0.55 TAAR1 (0.56) —
SCHEMBL6894409 0.55 HRH3 (0.58) PYCR1

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 — — WO disclosed
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