SCHEMBL20330342

SCHEMBL20330342

CNC(=O)c1cccn2ccnc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
HTR2A P28223 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
PLK1 P53350 1/20 0.40
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SSTR4 P31391 1/20 0.37
PTK2 Q05397 4/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL18038264 0.84 P2RX7 (0.49) HTR2AIRAK4HTR2CKCNH2SSTR4
SCHEMBL20312855 0.83 SMN1; SMN2 (0.46) TP53HTR2AIRAK4HTR2CKCNH2
SCHEMBL8313115 0.81 HTR2A (0.43) HTR2AIRAK4HTR2CKCNH2SSTR4
SCHEMBL1878367 0.81 KDM4E (0.49) GAAHTR2AIRAK4
SCHEMBL1419899 0.80 KDM4E (0.50) HTR2AHTR2CKCNH2
SCHEMBL1756867 0.78 HTR2A (0.43) HTR2AIRAK4HTR2CKCNH2SSTR4
SCHEMBL1420264 0.78 MKNK1 (0.47) HTR2AIRAK4HTR2CKCNH2ADRA1A
SCHEMBL9091086 0.78 HTR2A (0.46) HTR2AIRAK4HTR2CKCNH2SSTR4
Lithium SCHEMBL31115344 0.78 DHODH (0.49) HTR2AHTR2CKCNH2
Hydrochloric Acid SCHEMBL9091092 0.78 DHODH (0.49) HTR2AHTR2CKCNH2

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-2025132870-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2025-06-26 WO disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 WO disclosed