SCHEMBL27311124

SCHEMBL27311124

N#CB1CCC2(CC1)CC(Nc1ccnc(C#N)n1)C2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.55
▸ ROCK2 O75116 6/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CLK4 Q9HAZ1 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
SCHEMBL30815035 0.82 CTSK (0.58) CTSKROCK2HRH3MALT1CYP1A2
SCHEMBL27226207 0.82 CTSK (0.58) CTSKROCK2HRH3MALT1CYP1A2
SCHEMBL27227105 0.81 CTSK (0.62) CTSKROCK2HRH3MALT1CYP1A2
SCHEMBL30815456 0.81 CTSK (0.62) CTSKROCK2HRH3MALT1CYP1A2
SCHEMBL27225969 0.72 CTSK (0.65) CTSKHRH3MALT1CYP1A2CYP3A4
SCHEMBL27226113 0.72 CTSK (0.68) CTSKHRH3MALT1CYP1A2CYP3A4
SCHEMBL31061062 0.72 CTSK (1.00) CTSKHRH3MALT1
SCHEMBL30938546 0.71 GPR119 (0.55) CTSK
SCHEMBL27226685 0.71 GPR119 (0.55) CTSK
SCHEMBL30815053 0.70 CTSK (0.74) CTSKHRH3MALT1CYP1A2CYP2C19

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-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 — — WO disclosed
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