SCHEMBL30815368

SCHEMBL30815368

[2H]C1(Nc2ccnc(C#N)n2)CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.58
▸ HRH3 Q9Y5N1 3/20 0.46
▸ CTSL P07711 5/20 0.38
▸ CTSB P07858 5/20 0.38
▸ CTSS P25774 5/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL27226580 0.86 CTSK (0.74) CTSKHRH3CTSLCTSBCTSS
SCHEMBL30815053 0.86 CTSK (0.74) CTSKHRH3CTSLCTSBCTSS
SCHEMBL23830884 0.81 CTSK (0.66) CTSKHRH3CTSLCTSBCTSS
SCHEMBL23830882 0.81 CTSK (0.66) CTSKHRH3CTSLCTSBCTSS
SCHEMBL27226113 0.77 CTSK (0.68) CTSKHRH3CYP1A2CYP2C19HRH4
SCHEMBL31627243 0.76 CTSK (0.53) CTSKHRH3CTSLCTSBCTSS
SCHEMBL30815035 0.75 CTSK (0.58) CTSKHRH3CTSLCTSBCTSS
SCHEMBL27226207 0.75 CTSK (0.58) CTSKHRH3CTSLCTSBCTSS
SCHEMBL31061062 0.74 CTSK (1.00) CTSKHRH3CTSLCTSBCTSS
SCHEMBL30815456 0.72 CTSK (0.62) CTSKHRH3CYP1A2CYP2C19HRH4

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
EP-4594318-A1 AKT1 MODULATORS Alterome Therapeutics, Inc. (US) 2025-08-06 — — EP disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 — — WO disclosed
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