SCHEMBL25428211

SCHEMBL25428211

CC(C)(C)OC(=O)N1CC(c2c[nH]c3ncccc23)=CC(C#N)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HSD11B1 P28845 3/20 0.39
JAK3 P52333 1/20 0.38
CDC7 O00311 3/20 0.38
MAP4K4 O95819 2/20 0.38
PRKACA P17612 2/20 0.38
CDK2 P24941 2/20 0.38
CLK2 P49760 2/20 0.38
RPS6KA3 P51812 2/20 0.38
PRKX P51817 2/20 0.38
CDK5 Q00535 2/20 0.38
DYRK1A Q13627 2/20 0.38
PKN2 Q16513 2/20 0.38
HIPK2 Q9H2X6 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
STK17A Q9UEE5 2/20 0.38
MAP4K5 Q9Y4K4 2/20 0.38
CCNK O75909 1/20 0.38

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
SCHEMBL30509671 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL25426220 0.86 HTR2A (0.43) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL30548036 0.86 HTR2A (0.43) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL25427220 0.85 HTR2A (0.42) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL30509689 0.85 HTR2A (0.42) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL25425318 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL30509694 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL30548009 0.81 DTYMK (0.41) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL25422396 0.81 DTYMK (0.41) HTR2AHTR2CHTR2BHSD11B1JAK3
SCHEMBL1816384 0.81 CHEK1 (0.48) HTR2AHTR2CHTR2BJAK3MAP4K4

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
WO-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 WO disclosed
WO-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 WO disclosed