SCHEMBL30025554

SCHEMBL30025554

CCOc1nc(Br)cn2ccnc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ENPP1 P22413 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NUDT1 P36639 1/20 0.32
HCRTR2 O43614 1/20 0.31
PDE1A P54750 3/20 0.30
PDE1B Q01064 3/20 0.30
PDE1C Q14123 3/20 0.30
TNKS O95271 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
SCHEMBL24529236 0.83 HTR2C (0.47) HTR2CL3MBTL1ENPP1NUDT1HCRTR2
SCHEMBL24387327 0.82 HTR2C (0.41) HTR2CL3MBTL1
SCHEMBL24386943 0.79 HTR2C (0.41) HTR2CL3MBTL1
SCHEMBL5486787 0.78 EPHB4 (0.45) HTR2CL3MBTL1
SCHEMBL23571797 0.77 HPGD (0.33) L3MBTL1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL24529479 0.77 HTR2C (0.47) HTR2CL3MBTL1NUDT1TNKS
SCHEMBL31250025 0.76 ENPP1 (0.44) L3MBTL1HPGDENPP1HCRTR2
SCHEMBL23572068 0.75 PDE1A (0.33) HPGDSMN1; SMN2MEN1KMT2APDE1A
SCHEMBL19865160 0.74 L3MBTL1 (0.53) HTR2CL3MBTL1NUDT1TNKS
SCHEMBL103894 0.73 HTR2C (0.53) HTR2CL3MBTL1NUDT1TNKS

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
EP-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed