SCHEMBL8313115

SCHEMBL8313115

CC(=O)c1cccn2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
NUDT1 P36639 1/20 0.38
SSTR4 P31391 1/20 0.37
HCRTR2 O43614 5/20 0.37
HCRTR1 O43613 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP17A1 P05093 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1419899 0.84 KDM4E (0.50) HTR2AHTR2CKCNH2NUDT1ALDH1A1
SCHEMBL9091086 0.82 HTR2A (0.46) HTR2AHTR2CKCNH2NUDT1SSTR4
Lithium SCHEMBL31115344 0.82 DHODH (0.49) HTR2AHTR2CKCNH2NUDT1ALDH1A1
SCHEMBL1756867 0.82 HTR2A (0.43) HTR2AHTR2CKCNH2NUDT1SSTR4
Hydrochloric Acid SCHEMBL9091092 0.82 DHODH (0.49) HTR2AHTR2CKCNH2NUDT1ALDH1A1
SCHEMBL1420264 0.82 MKNK1 (0.47) HTR2AHTR2CKCNH2NUDT1ALDH1A1
SCHEMBL20330342 0.81 TP53 (0.43) HTR2AHTR2CKCNH2SSTR4IRAK4
SCHEMBL1878367 0.81 KDM4E (0.49) HTR2AHCRTR2ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL14837018 0.81 HTR2A (0.45) HTR2AHTR2CKCNH2NUDT1SSTR4
Hydrochloric Acid SCHEMBL30521486 0.81 MKNK1 (0.46) HTR2AHTR2CKCNH2NUDT1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132870-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2025-06-26 WO disclosed
WO-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 WO disclosed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed