SCHEMBL25794279

SCHEMBL25794279

NCCNc1nc(S)nc(N(N)Cc2ccc(Cl)cc2)c1N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 7/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ USP28 Q96RU2 1/20 0.33
▸ STK17B O94768 4/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ APP P05067 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ TTBK1 Q5TCY1 1/20 0.30
▸ TTBK2 Q6IQ55 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
SCHEMBL25794271 0.87 STK17B (0.34) STK17ASTK17B
SCHEMBL25794302 0.85 — —
SCHEMBL25794262 0.67 USP28 (0.67) USP28
SCHEMBL9737481 0.59 AOC3 (0.45) RAB9ATAAR1
SCHEMBL21318995 0.59 RAB9A (0.40) RAB9A
SCHEMBL17564598 0.58 CA12 (0.51) APPPKM
Hydrochloric Acid SCHEMBL9518394 0.58 AOC3 (0.44) RAB9ATAAR1
SCHEMBL656024 0.57 STK17A (0.50) STK17ACYP1A2CYP2D6STK17BRAB9A
Hydrochloric Acid SCHEMBL28709080 0.56 STK17A (0.49) STK17ACYP1A2CYP2D6STK17BRAB9A
SCHEMBL9737474 0.56 AOC3 (0.41) RAB9ATAAR1

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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